(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid

C13H25N3O4 — CID 79010051

IUPAC(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(CC(=O)NC(C)C)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C13H25N3O4/c1-6-16(7-10(17)14-9(4)5)13(20)15-11(8(2)3)12(18)19/h8-9,11H,6-7H2,1-5H3,(H,14,17)(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyYKJDVVNQPONKCA-LLVKDONJSA-N
MW287.36 g/mol
LogP0.65
Rot. Bonds7

About (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid

(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 79010051) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
PubChem CID79010051
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(CC(=O)NC(C)C)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C13H25N3O4/c1-6-16(7-10(17)14-9(4)5)13(20)15-11(8(2)3)12(18)19/h8-9,11H,6-7H2,1-5H3,(H,14,17)(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyYKJDVVNQPONKCA-LLVKDONJSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic 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-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 61449918
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826992
(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61438075
(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 62955217
2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid
CID 62475235
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63954013
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
CID 106346590
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109941
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid (CID 79010051) is (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid is CCN(CC(=O)NC(C)C)C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is YKJDVVNQPONKCA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-6-16(7-10(17)14-9(4)5)13(20)15-11(8(2)3)12(18)19/h8-9,11H,6-7H2,1-5H3,(H,14,17)(H,15,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid?
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 79010051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).