4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid

C14H27NO5 — CID 170107362

IUPAC4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid
SMILESCC(CCOC(C)CCC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-10(15-13(18)20-14(3,4)5)8-9-19-11(2)6-7-12(16)17/h10-11H,6-9H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyVYSQWHCWWQGFIQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.56
Rot. Bonds8

About 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid

4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid (PubChem CID 170107362) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid.

Molecular Properties

Compound Name4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid
PubChem CID170107362
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid
SMILESCC(CCOC(C)CCC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-10(15-13(18)20-14(3,4)5)8-9-19-11(2)6-7-12(16)17/h10-11H,6-9H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyVYSQWHCWWQGFIQ-UHFFFAOYSA-N
XLogP2.56
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic 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

tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate
CID 143288950
5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 174389301
(3S)-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid
CID 178200147
4-(2-methoxyethoxy)pentanoic acid
CID 62215225
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[(2S)-5-oxooctan-2-yl]carbamate
CID 138481067
(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 169118256
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
(4R,7S)-7-methyl-8-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5,8-dioxooctanoic acid
CID 58065412
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid?
The IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid (CID 170107362) is 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid.
What is the SMILES notation for 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid?
The canonical SMILES for 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid is CC(CCOC(C)CCC(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid?
The InChIKey is VYSQWHCWWQGFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-10(15-13(18)20-14(3,4)5)8-9-19-11(2)6-7-12(16)17/h10-11H,6-9H2,1-5H3,(H,15,18)(H,16,17).
What are the key properties of 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid?
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid is sourced from PubChem (CID 170107362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).