ethyl 3-(2-methylpropanoylamino)propanoate

C9H17NO3 — CID 22954027

IUPACethyl 3-(2-methylpropanoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-4-13-8(11)5-6-10-9(12)7(2)3/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyPFTYOYXLRLHBCZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.71
Rot. Bonds5

About ethyl 3-(2-methylpropanoylamino)propanoate

ethyl 3-(2-methylpropanoylamino)propanoate (PubChem CID 22954027) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 3-(2-methylpropanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-methylpropanoylamino)propanoate
PubChem CID22954027
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 3-(2-methylpropanoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-4-13-8(11)5-6-10-9(12)7(2)3/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyPFTYOYXLRLHBCZ-UHFFFAOYSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2-methylpropanoylamino)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

Diethyl 3,3'-Iminodipropionate
CID 352310
Ethyl 3-[(cyclopropylmethyl)amino]propanoate
CID 15428818
Propanoic acid, 3-amino-2-methyl, butyl ester, TFA
CID 527837
beta-Alanine, n-pentafluoropropionyl-, isobutyl ester
CID 91735323
Ethyl 3-(tert-butylamino)propanoate
CID 3804063
3-Amino-1-propanol, N,O-diacetyl-
CID 11344155
beta-Alanine, N-acryloyl-, isobutyl ester
CID 91692684
Methyl 3-[3-(dimethylamino)propanamido]propanoate
CID 165887053
Methyl 3-(butylamino)-2-methylpropanoate
CID 240905
Methyl 3-[(2-ethoxyethyl)amino]-2-methylpropanoate
CID 13614327
ethyl (3S)-3-acetamidobutanoate
CID 10678795
Ctk4D9680
CID 11321237

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylpropanoylamino)propanoate?
The IUPAC name of ethyl 3-(2-methylpropanoylamino)propanoate (CID 22954027) is ethyl 3-(2-methylpropanoylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-methylpropanoylamino)propanoate?
The canonical SMILES for ethyl 3-(2-methylpropanoylamino)propanoate is CCOC(=O)CCNC(=O)C(C)C.
What is the InChIKey of ethyl 3-(2-methylpropanoylamino)propanoate?
The InChIKey is PFTYOYXLRLHBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-13-8(11)5-6-10-9(12)7(2)3/h7H,4-6H2,1-3H3,(H,10,12).
What are the key properties of ethyl 3-(2-methylpropanoylamino)propanoate?
ethyl 3-(2-methylpropanoylamino)propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylpropanoylamino)propanoate is sourced from PubChem (CID 22954027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).