4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid

C13H25NO3 — CID 65212542

IUPAC4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CC1(O)CCCC1
InChIInChI=1S/C13H25NO3/c1-11(2)14(9-5-6-12(15)16)10-13(17)7-3-4-8-13/h11,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyNUXHPZADFABIFE-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.87
Rot. Bonds7

About 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid

4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid (PubChem CID 65212542) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid
PubChem CID65212542
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CC1(O)CCCC1
InChIInChI=1S/C13H25NO3/c1-11(2)14(9-5-6-12(15)16)10-13(17)7-3-4-8-13/h11,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyNUXHPZADFABIFE-UHFFFAOYSA-N
XLogP1.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic 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

4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol
CID 65212512
4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid
CID 114282079
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886
4-[pent-3-ynyl(propan-2-yl)amino]butanoic acid
CID 104808716
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
4-[[3-(methylamino)-3-oxopropyl]-propan-2-ylamino]butanoic acid
CID 62324292
2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide
CID 62222563
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-2-sulfonamide
CID 115867671
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834108

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid (CID 65212542) is 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)CC1(O)CCCC1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid?
The InChIKey is NUXHPZADFABIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(2)14(9-5-6-12(15)16)10-13(17)7-3-4-8-13/h11,17H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid?
4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 65212542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).