2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid

C13H25N3O3 — CID 62978014

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NCCN(C)C1CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-9(2)8-11(12(17)18)15-13(19)14-6-7-16(3)10-4-5-10/h9-11H,4-8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyKKWYVVMWXUDQKM-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.88
Rot. Bonds8

About 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid

2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 62978014) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
PubChem CID62978014
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NCCN(C)C1CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-9(2)8-11(12(17)18)15-13(19)14-6-7-16(3)10-4-5-10/h9-11H,4-8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyKKWYVVMWXUDQKM-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827644
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62635321
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 63316569
(2S)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
CID 63316795
4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid
CID 103995873
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2S,3R)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104966266
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid (CID 62978014) is 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid is CC(C)CC(NC(=O)NCCN(C)C1CC1)C(=O)O.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is KKWYVVMWXUDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)8-11(12(17)18)15-13(19)14-6-7-16(3)10-4-5-10/h9-11H,4-8H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid?
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62978014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).