2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid

C15H18N2O4 — CID 176713328

IUPAC2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@H]1CCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c18-13(8-11-4-2-1-3-5-11)17-7-6-12(10-17)15(21)16-9-14(19)20/h1-5,12H,6-10H2,(H,16,21)(H,19,20)/t12-/m0/s1
InChIKeyABUHYUOOXWFPEL-LBPRGKRZSA-N
MW290.32 g/mol
LogP0.28
Rot. Bonds5

About 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid

2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 176713328) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID176713328
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@H]1CCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c18-13(8-11-4-2-1-3-5-11)17-7-6-12(10-17)15(21)16-9-14(19)20/h1-5,12H,6-10H2,(H,16,21)(H,19,20)/t12-/m0/s1
InChIKeyABUHYUOOXWFPEL-LBPRGKRZSA-N
XLogP0.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 56533945
2-[[(3S)-1-[2-[4-[[2-methyl-3-(methylcarbamoyl)phenyl]carbamoylamino]phenyl]acetyl]pyrrolidine-3-carbonyl]amino]acetic acid
CID 176980965
N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 111464083
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 55652415
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
4-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541562
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 154780462

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid (CID 176713328) is 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@H]1CCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is ABUHYUOOXWFPEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13(8-11-4-2-1-3-5-11)17-7-6-12(10-17)15(21)16-9-14(19)20/h1-5,12H,6-10H2,(H,16,21)(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid?
2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 176713328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).