3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid

C15H29NO3 — CID 122040928

IUPAC3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNCC1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-14(2,3)12-7-5-11(6-8-12)9-16-10-15(4,19)13(17)18/h11-12,16,19H,5-10H2,1-4H3,(H,17,18)
InChIKeyJJVWWMMOLNRADU-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.26
Rot. Bonds5

About 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid

3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122040928) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122040928
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNCC1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-14(2,3)12-7-5-11(6-8-12)9-16-10-15(4,19)13(17)18/h11-12,16,19H,5-10H2,1-4H3,(H,17,18)
InChIKeyJJVWWMMOLNRADU-UHFFFAOYSA-N
XLogP2.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol
CID 104575141
1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104574795
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289340
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid
CID 79623531
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 104576051
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid (CID 122040928) is 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNCC1CCC(C(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is JJVWWMMOLNRADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-14(2,3)12-7-5-11(6-8-12)9-16-10-15(4,19)13(17)18/h11-12,16,19H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122040928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).