2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid

C9H18N2O4 — CID 79805776

IUPAC2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid
SMILESCCC(C)(N)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C9H18N2O4/c1-4-9(3,10)8(15)11-6(5(2)12)7(13)14/h5-6,12H,4,10H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyKSKOUPYHSXRTPK-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.94
Rot. Bonds5

About 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid

2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid (PubChem CID 79805776) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid
PubChem CID79805776
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid
SMILESCCC(C)(N)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C9H18N2O4/c1-4-9(3,10)8(15)11-6(5(2)12)7(13)14/h5-6,12H,4,10H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyKSKOUPYHSXRTPK-UHFFFAOYSA-N
XLogP-0.94
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]-3-hydroxybutanoic acid
CID 104965263
(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103927163
2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79797109
2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid
CID 90020733
ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79805903
(2S,3R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]butanoic acid
CID 104964818
2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid
CID 79805005
2-amino-N-[5-(diethylamino)pentan-2-yl]-2-methylbutanamide
CID 79797132
2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid
CID 21201077
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid (CID 79805776) is 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid is CCC(C)(N)C(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid?
The InChIKey is KSKOUPYHSXRTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-4-9(3,10)8(15)11-6(5(2)12)7(13)14/h5-6,12H,4,10H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid?
2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 79805776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).