2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid

C14H26N2O3 — CID 114218703

IUPAC2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid
SMILESCCC1CN(CC(C)(NC2CC2)C(=O)O)CCCO1
InChIInChI=1S/C14H26N2O3/c1-3-12-9-16(7-4-8-19-12)10-14(2,13(17)18)15-11-5-6-11/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyIZMZSESOKKGGII-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.08
Rot. Bonds6

About 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid

2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid (PubChem CID 114218703) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid
PubChem CID114218703
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid
SMILESCCC1CN(CC(C)(NC2CC2)C(=O)O)CCCO1
InChIInChI=1S/C14H26N2O3/c1-3-12-9-16(7-4-8-19-12)10-14(2,13(17)18)15-11-5-6-11/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyIZMZSESOKKGGII-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic 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

2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-2-methylpentanoic acid
CID 114218749
2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 63159802
2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)propanoic acid
CID 62974038
N-[3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 62256460
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid
CID 104968620
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanoic acid
CID 63635258
5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
CID 65254891
1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine
CID 114218748

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid (CID 114218703) is 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid is CCC1CN(CC(C)(NC2CC2)C(=O)O)CCCO1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid?
The InChIKey is IZMZSESOKKGGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-12-9-16(7-4-8-19-12)10-14(2,13(17)18)15-11-5-6-11/h11-12,15H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid?
2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 114218703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).