oxetan-3-yl 2-amino-3-methylpentanoate

C9H17NO3 — CID 102606938

IUPACoxetan-3-yl 2-amino-3-methylpentanoate
SMILESCCC(C)C(N)C(=O)OC1COC1
InChIInChI=1S/C9H17NO3/c1-3-6(2)8(10)9(11)13-7-4-12-5-7/h6-8H,3-5,10H2,1-2H3
InChIKeyCOGFLIVNSQFJTO-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.30
Rot. Bonds4

About oxetan-3-yl 2-amino-3-methylpentanoate

oxetan-3-yl 2-amino-3-methylpentanoate (PubChem CID 102606938) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is oxetan-3-yl 2-amino-3-methylpentanoate.

Molecular Properties

Compound Nameoxetan-3-yl 2-amino-3-methylpentanoate
PubChem CID102606938
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameoxetan-3-yl 2-amino-3-methylpentanoate
SMILESCCC(C)C(N)C(=O)OC1COC1
InChIInChI=1S/C9H17NO3/c1-3-6(2)8(10)9(11)13-7-4-12-5-7/h6-8H,3-5,10H2,1-2H3
InChIKeyCOGFLIVNSQFJTO-UHFFFAOYSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze oxetan-3-yl 2-amino-3-methylpentanoate 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

L-Leucine ethyl ester
CID 75971
Ethyl L-leucinate hydrochloride
CID 158178
L-Isoleucine, ethyl ester
CID 6602175
H-Ile-OEt.HCl
CID 6453390
propan-2-yl (2S,3S)-2-amino-3-methylpentanoate
CID 22824829
(S)-isopropyl 2-amino-4-methylpentanoate hydrochloride
CID 54593412
Einecs 213-070-4
CID 101911
L-Isoleucine, 1,1-dimethylethyl ester
CID 7010539
tert-butyl (2S)-2-amino-3-methylpentanoate
CID 12408521
tert-Butyl L-isoleucinate
CID 86077
Butyl 2-amino-4-methyl-pentanoate
CID 413337
Ethyl 2-amino-3-methylpentanoate
CID 559606

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 2-amino-3-methylpentanoate?
The IUPAC name of oxetan-3-yl 2-amino-3-methylpentanoate (CID 102606938) is oxetan-3-yl 2-amino-3-methylpentanoate.
What is the SMILES notation for oxetan-3-yl 2-amino-3-methylpentanoate?
The canonical SMILES for oxetan-3-yl 2-amino-3-methylpentanoate is CCC(C)C(N)C(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 2-amino-3-methylpentanoate?
The InChIKey is COGFLIVNSQFJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-6(2)8(10)9(11)13-7-4-12-5-7/h6-8H,3-5,10H2,1-2H3.
What are the key properties of oxetan-3-yl 2-amino-3-methylpentanoate?
oxetan-3-yl 2-amino-3-methylpentanoate has a molecular weight of 187.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 2-amino-3-methylpentanoate is sourced from PubChem (CID 102606938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).