2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid

C15H30N2O3 — CID 65265142

IUPAC2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid
SMILESCC(C)CCNC(=O)C(C)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-10(2)8-9-16-12(18)11(3)17-15(6,7)14(4,5)13(19)20/h10-11,17H,8-9H2,1-7H3,(H,16,18)(H,19,20)
InChIKeyZTBVBLOPFVVXCE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.02
Rot. Bonds8

About 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid

2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid (PubChem CID 65265142) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid
PubChem CID65265142
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid
SMILESCC(C)CCNC(=O)C(C)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-10(2)8-9-16-12(18)11(3)17-15(6,7)14(4,5)13(19)20/h10-11,17H,8-9H2,1-7H3,(H,16,18)(H,19,20)
InChIKeyZTBVBLOPFVVXCE-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid with MolForge

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Related Compounds

3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65265678
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
CID 104936395
1,3-bis(3-methylbutyl)urea
CID 22563958
N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372144
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 65266119
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide
CID 106147175
2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide
CID 82937505
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
CID 61247605

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid (CID 65265142) is 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid is CC(C)CCNC(=O)C(C)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The InChIKey is ZTBVBLOPFVVXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-10(2)8-9-16-12(18)11(3)17-15(6,7)14(4,5)13(19)20/h10-11,17H,8-9H2,1-7H3,(H,16,18)(H,19,20).
What are the key properties of 2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid?
2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.02, 8 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-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid is sourced from PubChem (CID 65265142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).