(2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide

C25H34N4O3 — CID 177368511

IUPAC(2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide
SMILESCC(=O)N[C@@H](C(=O)N[C@@H]1CCc2cc(NC(=O)[C@@H](N)C(C3CC3)C3CC3)ccc21)C1CC1
InChIInChI=1S/C25H34N4O3/c1-13(30)27-23(16-6-7-16)25(32)29-20-11-8-17-12-18(9-10-19(17)20)28-24(31)22(26)21(14-2-3-14)15-4-5-15/h9-10,12,14-16,20-23H,2-8,11,26H2,1H3,(H,27,30)(H,28,31)(H,29,32)/t20-,22+,23-/m1/s1
InChIKeyFHYNDVNUPDBFMH-AKIFATBCSA-N
MW438.57 g/mol
LogP2.41
Rot. Bonds9

About (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide

(2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide (PubChem CID 177368511) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide
PubChem CID177368511
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name(2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide
SMILESCC(=O)N[C@@H](C(=O)N[C@@H]1CCc2cc(NC(=O)[C@@H](N)C(C3CC3)C3CC3)ccc21)C1CC1
InChIInChI=1S/C25H34N4O3/c1-13(30)27-23(16-6-7-16)25(32)29-20-11-8-17-12-18(9-10-19(17)20)28-24(31)22(26)21(14-2-3-14)15-4-5-15/h9-10,12,14-16,20-23H,2-8,11,26H2,1H3,(H,27,30)(H,28,31)(H,29,32)/t20-,22+,23-/m1/s1
InChIKeyFHYNDVNUPDBFMH-AKIFATBCSA-N
XLogP2.41
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]carbamate
CID 177368487
2-acetamido-2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 17448058
N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368897
(2R)-2-acetamido-N-[(1R)-5-[[(2S)-3,3-dicyclopropyl-2-[[hydroxy-(2-propan-2-ylpyrazol-3-yl)methyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-1-yl]-4,4,4-trifluorobutanamide
CID 177368700
2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
CID 154944123
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
(2S)-2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
CID 149303159
N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-2,3-dimethylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368532
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368727
2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride
CID 119419106

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide?
The IUPAC name of (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide (CID 177368511) is (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide is CC(=O)N[C@@H](C(=O)N[C@@H]1CCc2cc(NC(=O)[C@@H](N)C(C3CC3)C3CC3)ccc21)C1CC1.
What is the InChIKey of (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide?
The InChIKey is FHYNDVNUPDBFMH-AKIFATBCSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-13(30)27-23(16-6-7-16)25(32)29-20-11-8-17-12-18(9-10-19(17)20)28-24(31)22(26)21(14-2-3-14)15-4-5-15/h9-10,12,14-16,20-23H,2-8,11,26H2,1H3,(H,27,30)(H,28,31)(H,29,32)/t20-,22+,23-/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide?
(2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide has a molecular weight of 438.57 g/mol, XLogP of 2.41, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide is sourced from PubChem (CID 177368511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).