4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid

C10H20N2O4 — CID 79811934

IUPAC4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCC(C)(N)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-10(3,11)8(15)12-6-9(2,16)5-7(13)14/h16H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyDHAJMQXGUMKYNL-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.54
Rot. Bonds6

About 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 79811934) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID79811934
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCC(C)(N)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-10(3,11)8(15)12-6-9(2,16)5-7(13)14/h16H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyDHAJMQXGUMKYNL-UHFFFAOYSA-N
XLogP-0.54
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxy-2-methylbutyl)-2-methylbutanamide
CID 79811592
2-amino-N-(2,2-dimethylpropyl)-2-methylbutanamide
CID 79805965
4-(3-ethylpentan-3-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003041
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994
2-amino-2-methyl-N-(2,2,3,3-tetrafluoropropyl)butanamide
CID 106291936
4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003778
4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 81079399
4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001198
3-amino-N-(2-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 115426775
6-[(2-amino-2-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 79812253
3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid
CID 66003618

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 79811934) is 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid is CCC(C)(N)C(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is DHAJMQXGUMKYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-10(3,11)8(15)12-6-9(2,16)5-7(13)14/h16H,4-6,11H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 79811934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).