5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid

C13H25NO3 — CID 115122837

IUPAC5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid
SMILESCC(C)(CNCC(O)CCC(=O)O)C1CCC1
InChIInChI=1S/C13H25NO3/c1-13(2,10-4-3-5-10)9-14-8-11(15)6-7-12(16)17/h10-11,14-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyHSKPJMARQDYHNH-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.63
Rot. Bonds8

About 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid

5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid (PubChem CID 115122837) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid
PubChem CID115122837
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid
SMILESCC(C)(CNCC(O)CCC(=O)O)C1CCC1
InChIInChI=1S/C13H25NO3/c1-13(2,10-4-3-5-10)9-14-8-11(15)6-7-12(16)17/h10-11,14-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyHSKPJMARQDYHNH-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]propanoic acid
CID 115219677
4,7,10-trihydroxytridecanedioic acid
CID 174508120
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
CID 115219676
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257
N'-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,3-diamine
CID 115198967
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
CID 115122599
methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
CID 115233556
2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261517
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
CID 115154472

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid?
The IUPAC name of 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid (CID 115122837) is 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid.
What is the SMILES notation for 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid?
The canonical SMILES for 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid is CC(C)(CNCC(O)CCC(=O)O)C1CCC1.
What is the InChIKey of 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid?
The InChIKey is HSKPJMARQDYHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,10-4-3-5-10)9-14-8-11(15)6-7-12(16)17/h10-11,14-15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid?
5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclobutyl-2-methylpropyl)amino]-4-hydroxypentanoic acid is sourced from PubChem (CID 115122837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).