(3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid

C7H12N2O4 — CID 70330455

IUPAC(3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCN(C(=O)CO)C1
InChIInChI=1S/C7H12N2O4/c8-7(6(12)13)1-2-9(4-7)5(11)3-10/h10H,1-4,8H2,(H,12,13)/t7-/m0/s1
InChIKeySBSOFDFQQSJIFL-ZETCQYMHSA-N
MW188.18 g/mol
LogP-2.01
Rot. Bonds2

About (3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid

(3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 70330455) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid
PubChem CID70330455
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCN(C(=O)CO)C1
InChIInChI=1S/C7H12N2O4/c8-7(6(12)13)1-2-9(4-7)5(11)3-10/h10H,1-4,8H2,(H,12,13)/t7-/m0/s1
InChIKeySBSOFDFQQSJIFL-ZETCQYMHSA-N
XLogP-2.01
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-2.01
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-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid (CID 70330455) is (3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid is N[C@@]1(C(=O)O)CCN(C(=O)CO)C1.
What is the InChIKey of (3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SBSOFDFQQSJIFL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-7(6(12)13)1-2-9(4-7)5(11)3-10/h10H,1-4,8H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid?
(3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-hydroxyacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70330455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).