methyl 2-[acetyl(propan-2-yl)amino]acetate

C8H15NO3 — CID 60766395

IUPACmethyl 2-[acetyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(C)=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)9(7(3)10)5-8(11)12-4/h6H,5H2,1-4H3
InChIKeyBMDVDGSKEGMHRV-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.42
Rot. Bonds3

About methyl 2-[acetyl(propan-2-yl)amino]acetate

methyl 2-[acetyl(propan-2-yl)amino]acetate (PubChem CID 60766395) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-[acetyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[acetyl(propan-2-yl)amino]acetate
PubChem CID60766395
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-[acetyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(C)=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)9(7(3)10)5-8(11)12-4/h6H,5H2,1-4H3
InChIKeyBMDVDGSKEGMHRV-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[acetyl(propan-2-yl)amino]acetate 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

(Acetyl-methoxycarbonylmethyl-amino)-acetic acid methyl ester
CID 224229
N-acetyl sarcosine O-methyl ester
CID 21718769
Ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
methyl N,N-di-isopropyloxamate
CID 11769261
2-[N-(propan-2-yl)acetamido]acetic acid
CID 13930744
Ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
2-[Acetyl(isopropyl)amino]ethyl acetate
CID 91618806
Glycine, N-ethyl-N-methoxycarbonyl-, methyl ester
CID 22976852
Glycine, N-methyl-N-(2-methyl-1-oxopropyl)-, methyl ester
CID 43409482
methyl (2S)-2-[methyl(2-methylpropanoyl)amino]propanoate
CID 45119456
N-acetyl-N-methyl-L-alanine methyl ester
CID 54357781
Methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate
CID 86009975

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[acetyl(propan-2-yl)amino]acetate (CID 60766395) is methyl 2-[acetyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[acetyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[acetyl(propan-2-yl)amino]acetate is COC(=O)CN(C(C)=O)C(C)C.
What is the InChIKey of methyl 2-[acetyl(propan-2-yl)amino]acetate?
The InChIKey is BMDVDGSKEGMHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)9(7(3)10)5-8(11)12-4/h6H,5H2,1-4H3.
What are the key properties of methyl 2-[acetyl(propan-2-yl)amino]acetate?
methyl 2-[acetyl(propan-2-yl)amino]acetate has a molecular weight of 173.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 60766395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).