2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid

C21H30N2O5 — CID 59995722

IUPAC2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid
SMILESNCCC[C@@H](NC(CCc1ccccc1)C(=O)O)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C21H30N2O5/c22-13-5-10-17(19(24)15-8-4-9-16(15)20(25)26)23-18(21(27)28)12-11-14-6-2-1-3-7-14/h1-3,6-7,15-18,23H,4-5,8-13,22H2,(H,25,26)(H,27,28)/t15?,16?,17-,18?/m1/s1
InChIKeyCEWVMSYYXOLOOU-QQQDYKAYSA-N
MW390.48 g/mol
LogP1.84
Rot. Bonds12

About 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid

2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid (PubChem CID 59995722) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid
PubChem CID59995722
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid
SMILESNCCC[C@@H](NC(CCc1ccccc1)C(=O)O)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C21H30N2O5/c22-13-5-10-17(19(24)15-8-4-9-16(15)20(25)26)23-18(21(27)28)12-11-14-6-2-1-3-7-14/h1-3,6-7,15-18,23H,4-5,8-13,22H2,(H,25,26)(H,27,28)/t15?,16?,17-,18?/m1/s1
InChIKeyCEWVMSYYXOLOOU-QQQDYKAYSA-N
XLogP1.84
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoic acid
CID 71314526
(2S)-1-[(2S)-5-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 14309035
(2S)-1-[(2S)-6-amino-2-[(1-carboxy-3-phenylpropyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 6321211
CID 91986718
CID 91986718
(2R)-1-[(2R)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid;dihydrate
CID 133126820
(2S)-2-[[6-amino-1-[(2S)-2-(carboxymethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid
CID 57029264
(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[[(5S)-5-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-[(2S)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]amino]-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 131667858
(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 57398373
(2S)-2-acetyl-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 140576460
(2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-(4-fluorophenyl)propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 70876164
1-[6-amino-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 13389797
(2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-(4-chlorophenyl)propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid;(2S)-1-[(2S)-5-amino-2-[[(1S)-1-carboxy-2-phenylethyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid;(2S)-1-[(2S)-6-amino-2-[[(2S)-4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid;(2S)-1-[(2S)-5-amino-2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 160771342

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid (CID 59995722) is 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid is NCCC[C@@H](NC(CCc1ccccc1)C(=O)O)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CEWVMSYYXOLOOU-QQQDYKAYSA-N. The full InChI is InChI=1S/C21H30N2O5/c22-13-5-10-17(19(24)15-8-4-9-16(15)20(25)26)23-18(21(27)28)12-11-14-6-2-1-3-7-14/h1-3,6-7,15-18,23H,4-5,8-13,22H2,(H,25,26)(H,27,28)/t15?,16?,17-,18?/m1/s1.
What are the key properties of 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid?
2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid has a molecular weight of 390.48 g/mol, XLogP of 1.84, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-amino-2-[(1-carboxy-3-phenylpropyl)amino]pentanoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 59995722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).