(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid

C21H28N2O4 — CID 119368013

IUPAC(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
SMILESO=C(NC1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C21H28N2O4/c24-19(15-8-4-5-9-15)22-17-12-10-16(11-13-17)20(25)23-18(21(26)27)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,22,24)(H,23,25)(H,26,27)/t16?,17?,18-/m1/s1
InChIKeyKXIFHMNBBKHLDP-DAWZGUTISA-N
MW372.47 g/mol
LogP2.79
Rot. Bonds6

About (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid

(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid (PubChem CID 119368013) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
PubChem CID119368013
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
SMILESO=C(NC1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C21H28N2O4/c24-19(15-8-4-5-9-15)22-17-12-10-16(11-13-17)20(25)23-18(21(26)27)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,22,24)(H,23,25)(H,26,27)/t16?,17?,18-/m1/s1
InChIKeyKXIFHMNBBKHLDP-DAWZGUTISA-N
XLogP2.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid with MolForge

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Related Compounds

(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylpropanoic acid
CID 75429616
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850
N-(2-oxo-1-phenylpropyl)cyclopropanecarboxamide
CID 134269746
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718
trans-(1R,3R)-N-cyclopropyl-3-[[(2R)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 124739605
cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 100873540
N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119422541
(2S)-2-phenyl-2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetic acid
CID 119372712
2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid
CID 82090476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid (CID 119368013) is (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid is O=C(NC1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1)C1CCCC1.
What is the InChIKey of (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid?
The InChIKey is KXIFHMNBBKHLDP-DAWZGUTISA-N. The full InChI is InChI=1S/C21H28N2O4/c24-19(15-8-4-5-9-15)22-17-12-10-16(11-13-17)20(25)23-18(21(26)27)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,22,24)(H,23,25)(H,26,27)/t16?,17?,18-/m1/s1.
What are the key properties of (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid?
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid has a molecular weight of 372.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119368013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).