(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid

C19H25N3O4 — CID 119372610

IUPAC(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H25N3O4/c23-17(20-16(18(24)25)14-6-2-1-3-7-14)15-8-12-22(13-9-15)19(26)21-10-4-5-11-21/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,23)(H,24,25)/t16-/m0/s1
InChIKeyWMGRALWUTYZKEX-INIZCTEOSA-N
MW359.43 g/mol
LogP1.86
Rot. Bonds4

About (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid

(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid (PubChem CID 119372610) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
PubChem CID119372610
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H25N3O4/c23-17(20-16(18(24)25)14-6-2-1-3-7-14)15-8-12-22(13-9-15)19(26)21-10-4-5-11-21/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,23)(H,24,25)/t16-/m0/s1
InChIKeyWMGRALWUTYZKEX-INIZCTEOSA-N
XLogP1.86
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(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
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453115
2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid
CID 119197904
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
2-[[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-4-carbonyl]amino]-2-phenylacetic acid
CID 3806322
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid?
The IUPAC name of (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid (CID 119372610) is (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid?
The InChIKey is WMGRALWUTYZKEX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-17(20-16(18(24)25)14-6-2-1-3-7-14)15-8-12-22(13-9-15)19(26)21-10-4-5-11-21/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,23)(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid?
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid has a molecular weight of 359.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 119372610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).