oxolan-3-yl 5-amino-2-methylpentanoate

C10H19NO3 — CID 104686034

IUPACoxolan-3-yl 5-amino-2-methylpentanoate
SMILESCC(CCCN)C(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-8(3-2-5-11)10(12)14-9-4-6-13-7-9/h8-9H,2-7,11H2,1H3
InChIKeyNQYZOSHZFGYFMN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds5

About oxolan-3-yl 5-amino-2-methylpentanoate

oxolan-3-yl 5-amino-2-methylpentanoate (PubChem CID 104686034) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is oxolan-3-yl 5-amino-2-methylpentanoate.

Molecular Properties

Compound Nameoxolan-3-yl 5-amino-2-methylpentanoate
PubChem CID104686034
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameoxolan-3-yl 5-amino-2-methylpentanoate
SMILESCC(CCCN)C(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-8(3-2-5-11)10(12)14-9-4-6-13-7-9/h8-9H,2-7,11H2,1H3
InChIKeyNQYZOSHZFGYFMN-UHFFFAOYSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
oxetan-3-yl 2,7-dimethyloctanoate
CID 155029124
oxan-4-ylmethyl 5-amino-2-methylpentanoate
CID 104686033
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
oxolan-3-yl 4-amino-3-methylbutanoate
CID 81072972
[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
CID 175404027
[(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate
CID 139822061
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419
8-amino-N-(oxolan-3-yloxy)octanamide
CID 89167613
oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
CID 122539257

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 5-amino-2-methylpentanoate?
The IUPAC name of oxolan-3-yl 5-amino-2-methylpentanoate (CID 104686034) is oxolan-3-yl 5-amino-2-methylpentanoate.
What is the SMILES notation for oxolan-3-yl 5-amino-2-methylpentanoate?
The canonical SMILES for oxolan-3-yl 5-amino-2-methylpentanoate is CC(CCCN)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 5-amino-2-methylpentanoate?
The InChIKey is NQYZOSHZFGYFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(3-2-5-11)10(12)14-9-4-6-13-7-9/h8-9H,2-7,11H2,1H3.
What are the key properties of oxolan-3-yl 5-amino-2-methylpentanoate?
oxolan-3-yl 5-amino-2-methylpentanoate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 5-amino-2-methylpentanoate is sourced from PubChem (CID 104686034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).