2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid

C14H28N2O3 — CID 79803751

IUPAC2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)C(C)CC(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-7-14(8-2,12(17)18)15-13(19)16(6)11(5)9-10(3)4/h10-11H,7-9H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyBPECWHGODUDZHC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds7

About 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid

2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid (PubChem CID 79803751) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
PubChem CID79803751
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)C(C)CC(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-7-14(8-2,12(17)18)15-13(19)16(6)11(5)9-10(3)4/h10-11H,7-9H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyBPECWHGODUDZHC-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid with MolForge

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Related Compounds

2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 79804394
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
CID 79803549
(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 113353206
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
(2R)-3-methyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79009702
1-methyl-3-(3-methylbutyl)-1-[(2R)-4-methylpentan-2-yl]urea
CID 97014475
4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55000358
(2S)-4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55231129
2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 79803567
2-ethyl-2-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 114996709
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
CID 107566606
2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 79804080

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid (CID 79803751) is 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid is CCC(CC)(NC(=O)N(C)C(C)CC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid?
The InChIKey is BPECWHGODUDZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-7-14(8-2,12(17)18)15-13(19)16(6)11(5)9-10(3)4/h10-11H,7-9H2,1-6H3,(H,15,19)(H,17,18).
What are the key properties of 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid?
2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79803751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).