(3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid

C7H12N2O4 — CID 162684947

IUPAC(3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCN(CC(=O)O)C1
InChIInChI=1S/C7H12N2O4/c8-7(6(12)13)1-2-9(4-7)3-5(10)11/h1-4,8H2,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyRVFGZQPRAZCFHD-ZETCQYMHSA-N
MW188.18 g/mol
LogP-1.44
Rot. Bonds3

About (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid

(3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid (PubChem CID 162684947) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid
PubChem CID162684947
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCN(CC(=O)O)C1
InChIInChI=1S/C7H12N2O4/c8-7(6(12)13)1-2-9(4-7)3-5(10)11/h1-4,8H2,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyRVFGZQPRAZCFHD-ZETCQYMHSA-N
XLogP-1.44
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid (CID 162684947) is (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid is N[C@@]1(C(=O)O)CCN(CC(=O)O)C1.
What is the InChIKey of (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RVFGZQPRAZCFHD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-7(6(12)13)1-2-9(4-7)3-5(10)11/h1-4,8H2,(H,10,11)(H,12,13)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid?
(3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(carboxymethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 162684947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).