2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid

C10H19N3O4 — CID 43356152

IUPAC2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid
SMILESCC(C)CC(NC(N)=O)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(2)4-7(12-10(11)17)9(16)13(3)5-8(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)(H3,11,12,17)
InChIKeyJQXSQCHWHUZJKX-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.39
Rot. Bonds6

About 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid

2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid (PubChem CID 43356152) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid
PubChem CID43356152
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid
SMILESCC(C)CC(NC(N)=O)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(2)4-7(12-10(11)17)9(16)13(3)5-8(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)(H3,11,12,17)
InChIKeyJQXSQCHWHUZJKX-UHFFFAOYSA-N
XLogP-0.39
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(carbamoylamino)-4-methylpentanoyl]-propylamino]acetic acid
CID 61013419
2-[[2-(carbamoylamino)-4-methylpentanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265061
3-[[2-(carbamoylamino)-4-methylpentanoyl]-ethylamino]-2-methylpropanoic acid
CID 62825790
2-[methyl-[2-(methylamino)propanoyl]amino]acetic acid
CID 62638787
2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
CID 63929707
2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
CID 88764935
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
CID 78975508
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid (CID 43356152) is 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid is CC(C)CC(NC(N)=O)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid?
The InChIKey is JQXSQCHWHUZJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-6(2)4-7(12-10(11)17)9(16)13(3)5-8(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)(H3,11,12,17).
What are the key properties of 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid?
2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid is sourced from PubChem (CID 43356152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).