2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid

C14H23N3O6 — CID 67312423

IUPAC2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(N)C(=O)N1CCCC1(C(=O)O)C(=O)C(N)CC(=O)O
InChIInChI=1S/C14H23N3O6/c1-7(2)10(16)12(21)17-5-3-4-14(17,13(22)23)11(20)8(15)6-9(18)19/h7-8,10H,3-6,15-16H2,1-2H3,(H,18,19)(H,22,23)
InChIKeySPDJJAINAAEDAV-UHFFFAOYSA-N
MW329.35 g/mol
LogP-1.21
Rot. Bonds7

About 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid

2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 67312423) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID67312423
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(N)C(=O)N1CCCC1(C(=O)O)C(=O)C(N)CC(=O)O
InChIInChI=1S/C14H23N3O6/c1-7(2)10(16)12(21)17-5-3-4-14(17,13(22)23)11(20)8(15)6-9(18)19/h7-8,10H,3-6,15-16H2,1-2H3,(H,18,19)(H,22,23)
InChIKeySPDJJAINAAEDAV-UHFFFAOYSA-N
XLogP-1.21
TPSA164.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 63217403
(2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70070089
1-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]-2-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 174801849
(2S)-2-(2-aminoacetyl)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87856019
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 113353589
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one
CID 90330181
2-(2,6-diaminohexanoyl)-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 70493103
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid (CID 67312423) is 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid is CC(C)C(N)C(=O)N1CCCC1(C(=O)O)C(=O)C(N)CC(=O)O.
What is the InChIKey of 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SPDJJAINAAEDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-7(2)10(16)12(21)17-5-3-4-14(17,13(22)23)11(20)8(15)6-9(18)19/h7-8,10H,3-6,15-16H2,1-2H3,(H,18,19)(H,22,23).
What are the key properties of 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 329.35 g/mol, XLogP of -1.21, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67312423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).