methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate

C12H21NO4 — CID 63953576

IUPACmethyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCC1CCCCO1
InChIInChI=1S/C12H21NO4/c1-9(12(15)16-2)13-11(14)7-6-10-5-3-4-8-17-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyONGYSEAYVWOVJM-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.01
Rot. Bonds5

About methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate

methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate (PubChem CID 63953576) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
PubChem CID63953576
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCC1CCCCO1
InChIInChI=1S/C12H21NO4/c1-9(12(15)16-2)13-11(14)7-6-10-5-3-4-8-17-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyONGYSEAYVWOVJM-UHFFFAOYSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate 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

N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106180827
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460
(2R)-3-methyl-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 79010668
(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide
CID 94114407
N-(1-chloro-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 114305527
N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106183350
(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 107820646
N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide
CID 113272518
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide
CID 106356996
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate?
The IUPAC name of methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate (CID 63953576) is methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate.
What is the SMILES notation for methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate?
The canonical SMILES for methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate is COC(=O)C(C)NC(=O)CCC1CCCCO1.
What is the InChIKey of methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate?
The InChIKey is ONGYSEAYVWOVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(12(15)16-2)13-11(14)7-6-10-5-3-4-8-17-10/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate?
methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate has a molecular weight of 243.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate is sourced from PubChem (CID 63953576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).