(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid

C17H24N2O3 — CID 119367932

IUPAC(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCC(C)CN1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-12(2)10-19-9-8-14(11-19)16(20)18-15(17(21)22)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,20)(H,21,22)/t14?,15-/m1/s1
InChIKeyKHALCWQYGZRZSY-YSSOQSIOSA-N
MW304.39 g/mol
LogP1.91
Rot. Bonds6

About (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid

(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid (PubChem CID 119367932) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
PubChem CID119367932
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCC(C)CN1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-12(2)10-19-9-8-14(11-19)16(20)18-15(17(21)22)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,20)(H,21,22)/t14?,15-/m1/s1
InChIKeyKHALCWQYGZRZSY-YSSOQSIOSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119367956
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
(2S)-2-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidine-4-carbonyl]amino]-2-phenylacetic acid;hydrochloride
CID 52994086
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
CID 71851504
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid (CID 119367932) is (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid is CC(C)CN1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)C1.
What is the InChIKey of (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is KHALCWQYGZRZSY-YSSOQSIOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)10-19-9-8-14(11-19)16(20)18-15(17(21)22)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,20)(H,21,22)/t14?,15-/m1/s1.
What are the key properties of (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 304.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119367932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).