(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid

C14H18N2O3 — CID 104898505

IUPAC(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
SMILESO=C(CC1CCNC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-12(8-10-6-7-15-9-10)16-13(14(18)19)11-4-2-1-3-5-11/h1-5,10,13,15H,6-9H2,(H,16,17)(H,18,19)/t10?,13-/m0/s1
InChIKeyKFODPDRUGJDITP-HQVZTVAUSA-N
MW262.31 g/mol
LogP0.93
Rot. Bonds5

About (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid

(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid (PubChem CID 104898505) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
PubChem CID104898505
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
SMILESO=C(CC1CCNC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-12(8-10-6-7-15-9-10)16-13(14(18)19)11-4-2-1-3-5-11/h1-5,10,13,15H,6-9H2,(H,16,17)(H,18,19)/t10?,13-/m0/s1
InChIKeyKFODPDRUGJDITP-HQVZTVAUSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 104898572
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278796
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide
CID 61029465
N-(1-phenylpropyl)-2-piperidin-3-ylacetamide
CID 62689711
2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
CID 61157868
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid?
The IUPAC name of (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid (CID 104898505) is (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid is O=C(CC1CCNC1)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid?
The InChIKey is KFODPDRUGJDITP-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-12(8-10-6-7-15-9-10)16-13(14(18)19)11-4-2-1-3-5-11/h1-5,10,13,15H,6-9H2,(H,16,17)(H,18,19)/t10?,13-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid?
(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid is sourced from PubChem (CID 104898505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).