(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid

C16H21NO3 — CID 119364620

IUPAC(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCc2ccccc21)C(=O)O
InChIInChI=1S/C16H21NO3/c1-10(2)9-14(16(19)20)17-15(18)13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,18)(H,19,20)/t13?,14-/m1/s1
InChIKeyCOPIOZMRGGVQBR-ARLHGKGLSA-N
MW275.35 g/mol
LogP2.33
Rot. Bonds5

About (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid

(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid (PubChem CID 119364620) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid
PubChem CID119364620
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCc2ccccc21)C(=O)O
InChIInChI=1S/C16H21NO3/c1-10(2)9-14(16(19)20)17-15(18)13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,18)(H,19,20)/t13?,14-/m1/s1
InChIKeyCOPIOZMRGGVQBR-ARLHGKGLSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067
(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
CID 119238189
(E)-2-(2,3-dihydro-1H-indene-1-carbonylamino)hex-4-enoic acid
CID 120692514
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 138005426
4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid
CID 42930788
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363528
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188260
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119362074
(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid
CID 119364584
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
(2S)-2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 107842992

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid (CID 119364620) is (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)C1CCc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid?
The InChIKey is COPIOZMRGGVQBR-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10(2)9-14(16(19)20)17-15(18)13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,18)(H,19,20)/t13?,14-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid?
(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 119364620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).