(2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid

C20H26N2O5 — CID 97338824

IUPAC(2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccccc1)C1CC1)C(=O)O
InChIInChI=1S/C20H26N2O5/c1-13(20(26)27)12-22(16-8-9-16)18(24)11-10-17(23)21-14(2)19(25)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,21,23)(H,26,27)/t13-,14+/m1/s1
InChIKeyVDTKQEIHOPFJLM-KGLIPLIRSA-N
MW374.44 g/mol
LogP1.87
Rot. Bonds10

About (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid

(2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid (PubChem CID 97338824) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid
PubChem CID97338824
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name(2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccccc1)C1CC1)C(=O)O
InChIInChI=1S/C20H26N2O5/c1-13(20(26)27)12-22(16-8-9-16)18(24)11-10-17(23)21-14(2)19(25)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,21,23)(H,26,27)/t13-,14+/m1/s1
InChIKeyVDTKQEIHOPFJLM-KGLIPLIRSA-N
XLogP1.87
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 82325252
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
3-[cyclopropyl-(3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 82326055
3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid
CID 82323439
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
4-[[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 146014920
3-[cyclopropyl(4-propan-2-yloxybutanoyl)amino]-2-methylpropanoic acid
CID 120689469
(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid
CID 99851760

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid (CID 97338824) is (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid is C[C@H](CN(C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccccc1)C1CC1)C(=O)O.
What is the InChIKey of (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid?
The InChIKey is VDTKQEIHOPFJLM-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13(20(26)27)12-22(16-8-9-16)18(24)11-10-17(23)21-14(2)19(25)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,21,23)(H,26,27)/t13-,14+/m1/s1.
What are the key properties of (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid?
(2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid has a molecular weight of 374.44 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 97338824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).