2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid

C14H25N3O6 — CID 18221982

IUPAC2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid
SMILESCC(C)CC(N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C14H25N3O6/c1-7(2)6-9(15)13(21)16-8(3)12(20)17-10(14(22)23)4-5-11(18)19/h7-10H,4-6,15H2,1-3H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)
InChIKeyCQQGCWPXDHTTNF-UHFFFAOYSA-N
MW331.37 g/mol
LogP-0.70
Rot. Bonds10

About 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid

2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid (PubChem CID 18221982) has the molecular formula C14H25N3O6 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid
PubChem CID18221982
Molecular FormulaC14H25N3O6
Molecular Weight331.37 g/mol
Exact Mass331.17
IUPAC Name2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid
SMILESCC(C)CC(N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C14H25N3O6/c1-7(2)6-9(15)13(21)16-8(3)12(20)17-10(14(22)23)4-5-11(18)19/h7-10H,4-6,15H2,1-3H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)
InChIKeyCQQGCWPXDHTTNF-UHFFFAOYSA-N
XLogP-0.70
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-0.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic 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-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]propanoylamino]pentanedioic acid
CID 22703648
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 145456412
2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]pentanedioic acid
CID 22702637
5-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-5-oxopentanoic acid
CID 22702558
2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]propanoylamino]pentanedioic acid
CID 18247708
5-amino-2-[[5-amino-2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 22702581
2-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]propanoylamino]butanedioic acid
CID 22703646
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 134825409
4-[(2-amino-4-methylpentanoyl)amino]-5-[[3-carboxy-1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 22704499
2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 22704933
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]pentanedioic acid
CID 22703728
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
CID 18298651

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid?
The IUPAC name of 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid (CID 18221982) is 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid.
What is the SMILES notation for 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid?
The canonical SMILES for 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid is CC(C)CC(N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid?
The InChIKey is CQQGCWPXDHTTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O6/c1-7(2)6-9(15)13(21)16-8(3)12(20)17-10(14(22)23)4-5-11(18)19/h7-10H,4-6,15H2,1-3H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23).
What are the key properties of 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid?
2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid has a molecular weight of 331.37 g/mol, XLogP of -0.70, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid is sourced from PubChem (CID 18221982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).