2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid

C7H12N2O4 — CID 19609664

IUPAC2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC(=O)C1(C(=O)O)CCCN1O
InChIInChI=1S/C7H12N2O4/c8-4-5(10)7(6(11)12)2-1-3-9(7)13/h13H,1-4,8H2,(H,11,12)
InChIKeyNXCVOPWWQLFMES-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.18
Rot. Bonds3

About 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid

2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 19609664) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid
PubChem CID19609664
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC(=O)C1(C(=O)O)CCCN1O
InChIInChI=1S/C7H12N2O4/c8-4-5(10)7(6(11)12)2-1-3-9(7)13/h13H,1-4,8H2,(H,11,12)
InChIKeyNXCVOPWWQLFMES-UHFFFAOYSA-N
XLogP-1.18
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-aminoacetyl)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87856019
1,2-dihydroxypiperidine-2-carboxylic acid
CID 68700231
1-methylpyrrolidine-2,2-dicarboxylic acid
CID 83669888
1,2-dihydroxypyrrolidine-2-carboxamide
CID 140539676
(2R)-1-methyl-2-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 87905712
2-aminoacetic acid;1-hydroxypyrrolidine-2-carboxylic acid
CID 18326979
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
2-amino-1-(4-azaspiro[2.4]heptan-4-yl)ethanone
CID 154535282
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-(2-bromoacetyl)-2-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70314994
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
CID 162348779
CID 162348779

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid (CID 19609664) is 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid is NCC(=O)C1(C(=O)O)CCCN1O.
What is the InChIKey of 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is NXCVOPWWQLFMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-4-5(10)7(6(11)12)2-1-3-9(7)13/h13H,1-4,8H2,(H,11,12).
What are the key properties of 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid?
2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoacetyl)-1-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19609664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).