2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid

C13H23N3O4 — CID 70411878

IUPAC2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C(=O)CN)C(=O)C1CCCN1
InChIInChI=1S/C13H23N3O4/c1-8(2)6-10(13(19)20)16(11(17)7-14)12(18)9-4-3-5-15-9/h8-10,15H,3-7,14H2,1-2H3,(H,19,20)
InChIKeyUCTWBUHTKPFRTQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.45
Rot. Bonds6

About 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid

2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 70411878) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID70411878
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C(=O)CN)C(=O)C1CCCN1
InChIInChI=1S/C13H23N3O4/c1-8(2)6-10(13(19)20)16(11(17)7-14)12(18)9-4-3-5-15-9/h8-10,15H,3-7,14H2,1-2H3,(H,19,20)
InChIKeyUCTWBUHTKPFRTQ-UHFFFAOYSA-N
XLogP-0.45
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-aminoacetyl)-(2-amino-4-methylpentanoyl)amino]-3-oxo-3-pyrrolidin-2-ylpropanoic acid
CID 70445810
(2S)-2-[(2-carboxy-2-oxoethyl)-methylamino]-4-methylpentanoic acid;pyrrolidine-2-carboxylic acid
CID 69350419
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66790467
(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 22803642
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 22797057
N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 70567557
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913782
2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869277
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 70209240
(2S)-2-[(2-carboxy-2-hydroxyethyl)-methylamino]-4-methylpentanoic acid;(2S)-2-[(2-carboxy-2-oxoethyl)-methylamino]-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 67429539

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid (CID 70411878) is 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(C(=O)O)N(C(=O)CN)C(=O)C1CCCN1.
What is the InChIKey of 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is UCTWBUHTKPFRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)6-10(13(19)20)16(11(17)7-14)12(18)9-4-3-5-15-9/h8-10,15H,3-7,14H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid?
2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 70411878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).