2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid

C14H27N3O4 — CID 65263700

IUPAC2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
SMILESCC(C)NC(=O)CN(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-9(2)15-10(18)8-17(7)12(21)16-14(5,6)13(3,4)11(19)20/h9H,8H2,1-7H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyKXPKXFBBHATQIH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.04
Rot. Bonds6

About 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid

2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid (PubChem CID 65263700) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
PubChem CID65263700
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
SMILESCC(C)NC(=O)CN(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-9(2)15-10(18)8-17(7)12(21)16-14(5,6)13(3,4)11(19)20/h9H,8H2,1-7H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyKXPKXFBBHATQIH-UHFFFAOYSA-N
XLogP1.04
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
CID 65265849
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid
CID 65265112
2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
CID 65266300
3-methyl-2-[[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]methyl]butanoic acid
CID 65220996
2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 114328087
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 64685273
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid (CID 65263700) is 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid is CC(C)NC(=O)CN(C)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid?
The InChIKey is KXPKXFBBHATQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-9(2)15-10(18)8-17(7)12(21)16-14(5,6)13(3,4)11(19)20/h9H,8H2,1-7H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 65263700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).