methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate

C12H23NO3 — CID 79398493

IUPACmethyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC1(O)CCCC1
InChIInChI=1S/C12H23NO3/c1-9(11(14)16-3)10(2)13-8-12(15)6-4-5-7-12/h9-10,13,15H,4-8H2,1-3H3
InChIKeyNXGWDUIHODZCJI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds5

About methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate

methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate (PubChem CID 79398493) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate
PubChem CID79398493
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC1(O)CCCC1
InChIInChI=1S/C12H23NO3/c1-9(11(14)16-3)10(2)13-8-12(15)6-4-5-7-12/h9-10,13,15H,4-8H2,1-3H3
InChIKeyNXGWDUIHODZCJI-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate 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

methyl 3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2-methylbutanoate
CID 79396736
methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate
CID 106100572
methyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122312
methyl 4-[(1-hydroxycyclobutyl)methylamino]-2-methylpentanoate
CID 104646340
ethyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol
CID 115718567
tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate
CID 66338142
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
1-[(1-methoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107675
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
methyl 2-bromo-3-[(1-hydroxycyclohexyl)methylamino]propanoate
CID 103253658

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate (CID 79398493) is methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate is COC(=O)C(C)C(C)NCC1(O)CCCC1.
What is the InChIKey of methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate?
The InChIKey is NXGWDUIHODZCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(11(14)16-3)10(2)13-8-12(15)6-4-5-7-12/h9-10,13,15H,4-8H2,1-3H3.
What are the key properties of methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate?
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate has a molecular weight of 229.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate is sourced from PubChem (CID 79398493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).