methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate

C10H18N2O4 — CID 107222781

IUPACmethyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CC1(N)CCC1
InChIInChI=1S/C10H18N2O4/c1-16-9(15)7(13)6-12-8(14)5-10(11)3-2-4-10/h7,13H,2-6,11H2,1H3,(H,12,14)
InChIKeyKWHRBVOOJJYQBG-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.09
Rot. Bonds5

About methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate

methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate (PubChem CID 107222781) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate
PubChem CID107222781
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CC1(N)CCC1
InChIInChI=1S/C10H18N2O4/c1-16-9(15)7(13)6-12-8(14)5-10(11)3-2-4-10/h7,13H,2-6,11H2,1H3,(H,12,14)
InChIKeyKWHRBVOOJJYQBG-UHFFFAOYSA-N
XLogP-1.09
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate (CID 107222781) is methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)CC1(N)CCC1.
What is the InChIKey of methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate?
The InChIKey is KWHRBVOOJJYQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-9(15)7(13)6-12-8(14)5-10(11)3-2-4-10/h7,13H,2-6,11H2,1H3,(H,12,14).
What are the key properties of methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate?
methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate has a molecular weight of 230.26 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 107222781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).