(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid

C13H16N2O4 — CID 91667012

IUPAC(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
SMILESO=C(NN1CCC[C@@H]1C(=O)O)OCc1ccccc1
InChIInChI=1S/C13H16N2O4/c16-12(17)11-7-4-8-15(11)14-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyJPZFUUQVODARKQ-LLVKDONJSA-N
MW264.28 g/mol
LogP1.38
Rot. Bonds4

About (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid

(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid (PubChem CID 91667012) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
PubChem CID91667012
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
SMILESO=C(NN1CCC[C@@H]1C(=O)O)OCc1ccccc1
InChIInChI=1S/C13H16N2O4/c16-12(17)11-7-4-8-15(11)14-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyJPZFUUQVODARKQ-LLVKDONJSA-N
XLogP1.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(phenylmethoxycarbonylamino)butyl]pyrrolidine-2-carboxylic acid
CID 101131452
[(2S,3S)-4-oxo-3-[[1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]azetidin-2-yl] acetate
CID 101337948
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236
benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate
CID 90115821
(2S)-1-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 126679483
benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate
CID 70001359
(2S)-1-[(2S)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 18611257
(2S)-1-[(2S)-3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propyl]pyrrolidine-2-carboxylic acid
CID 123266377
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
(3S)-2-nitroso-1-phenylmethoxycarbonyldiazinane-3-carboxylic acid
CID 89249618
benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate
CID 142686374

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid (CID 91667012) is (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid is O=C(NN1CCC[C@@H]1C(=O)O)OCc1ccccc1.
What is the InChIKey of (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid?
The InChIKey is JPZFUUQVODARKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(17)11-7-4-8-15(11)14-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid?
(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 91667012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).