(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid

C9H12N2O7 — CID 59652934

IUPAC(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid
SMILESNC1(C(=O)O)C[C@@H](C(=O)O)N(C(=O)CC(=O)O)C1
InChIInChI=1S/C9H12N2O7/c10-9(8(17)18)2-4(7(15)16)11(3-9)5(12)1-6(13)14/h4H,1-3,10H2,(H,13,14)(H,15,16)(H,17,18)/t4-,9?/m0/s1
InChIKeyHVNAXUYCKCMGRQ-HBSVBABPSA-N
MW260.20 g/mol
LogP-2.07
Rot. Bonds4

About (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid

(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 59652934) has the molecular formula C9H12N2O7 and a molecular weight of 260.20 g/mol. Its IUPAC name is (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID59652934
Molecular FormulaC9H12N2O7
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Name(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid
SMILESNC1(C(=O)O)C[C@@H](C(=O)O)N(C(=O)CC(=O)O)C1
InChIInChI=1S/C9H12N2O7/c10-9(8(17)18)2-4(7(15)16)11(3-9)5(12)1-6(13)14/h4H,1-3,10H2,(H,13,14)(H,15,16)(H,17,18)/t4-,9?/m0/s1
InChIKeyHVNAXUYCKCMGRQ-HBSVBABPSA-N
XLogP-2.07
TPSA158.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid
CID 11623609
(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid
CID 11550997
(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid
CID 11644213
(2R,4R)-4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 11499735
4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 23102672
4-amino-1-benzoylpyrrolidine-2,4-dicarboxylic acid
CID 22369538
4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid
CID 22369546
4-amino-1-[carboxy(propyl)carbamothioyl]pyrrolidine-2,4-dicarboxylic acid
CID 90993334
(3R,5S)-3-amino-5-iodo-1-oxalopyrrolidine-3-carboxylic acid
CID 70327866
(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
CID 66965454
4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid
CID 22369490
1-[2-[4-[2-(2-carboxy-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]phenyl]acetyl]-4,4-difluoropyrrolidine-2-carboxylic acid
CID 22717183

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid (CID 59652934) is (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid is NC1(C(=O)O)C[C@@H](C(=O)O)N(C(=O)CC(=O)O)C1.
What is the InChIKey of (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is HVNAXUYCKCMGRQ-HBSVBABPSA-N. The full InChI is InChI=1S/C9H12N2O7/c10-9(8(17)18)2-4(7(15)16)11(3-9)5(12)1-6(13)14/h4H,1-3,10H2,(H,13,14)(H,15,16)(H,17,18)/t4-,9?/m0/s1.
What are the key properties of (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid?
(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 260.20 g/mol, XLogP of -2.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 59652934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).