2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid

C8H15NO3 — CID 129319667

IUPAC2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCC(C)(O)C(NC1CC1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2,12)6(7(10)11)9-5-3-4-5/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyZTEAOFJRSVFFIB-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.04
Rot. Bonds4

About 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid

2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid (PubChem CID 129319667) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid
PubChem CID129319667
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCC(C)(O)C(NC1CC1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2,12)6(7(10)11)9-5-3-4-5/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyZTEAOFJRSVFFIB-UHFFFAOYSA-N
XLogP-0.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
(2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid
CID 139665334
2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183
(2R)-2-amino-N-cyclopentyl-3-hydroxy-3-methylbutanamide
CID 67225078
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
CID 106675996
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767
2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
CID 106675998
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid (CID 129319667) is 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid is CC(C)(O)C(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid?
The InChIKey is ZTEAOFJRSVFFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,12)6(7(10)11)9-5-3-4-5/h5-6,9,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid?
2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid has a molecular weight of 173.21 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 129319667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).