4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid

C10H20N2O4 — CID 81079399

IUPAC4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(CN)CC(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(5-11)3-8(13)12-6-10(2,16)4-9(14)15/h7,16H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYOQJFCVEZAELQE-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds7

About 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 81079399) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID81079399
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(CN)CC(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(5-11)3-8(13)12-6-10(2,16)4-9(14)15/h7,16H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYOQJFCVEZAELQE-UHFFFAOYSA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid
CID 66001344
4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
CID 115156508
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003555
5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid
CID 65108474
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340
4-[(3-amino-2-methoxypropanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 106113077
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 79811934
3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid
CID 66003618
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 81079399) is 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid is CC(CN)CC(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is YOQJFCVEZAELQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(5-11)3-8(13)12-6-10(2,16)4-9(14)15/h7,16H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 81079399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).