(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid

C10H19N3O4 — CID 78975508

IUPAC(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C(C)NC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)4-7(9(15)16)13-8(14)6(3)12-10(11)17/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16)(H3,11,12,17)/t6?,7-/m1/s1
InChIKeyWYJPWVHVSRALOQ-COBSHVIPSA-N
MW245.28 g/mol
LogP-0.34
Rot. Bonds6

About (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid

(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid (PubChem CID 78975508) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
PubChem CID78975508
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C(C)NC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)4-7(9(15)16)13-8(14)6(3)12-10(11)17/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16)(H3,11,12,17)/t6?,7-/m1/s1
InChIKeyWYJPWVHVSRALOQ-COBSHVIPSA-N
XLogP-0.34
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 4584163
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 175717143
2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243847
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18745306
2-[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 23182429
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 22652287
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
2-[2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 18233784
2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
CID 18232887
2-(2-formamidopropanoylamino)-4-methylpentanoic acid
CID 131864242

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid (CID 78975508) is (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)C(C)NC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid?
The InChIKey is WYJPWVHVSRALOQ-COBSHVIPSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5(2)4-7(9(15)16)13-8(14)6(3)12-10(11)17/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16)(H3,11,12,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid?
(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 78975508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).