methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate

C10H18N2O3 — CID 43537409

IUPACmethyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCCC1C(N)=O
InChIInChI=1S/C10H18N2O3/c1-7(6-9(13)15-2)12-5-3-4-8(12)10(11)14/h7-8H,3-6H2,1-2H3,(H2,11,14)
InChIKeyWYNLAZACHCWVOG-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.11
Rot. Bonds4

About methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate

methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate (PubChem CID 43537409) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate
PubChem CID43537409
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCCC1C(N)=O
InChIInChI=1S/C10H18N2O3/c1-7(6-9(13)15-2)12-5-3-4-8(12)10(11)14/h7-8H,3-6H2,1-2H3,(H2,11,14)
InChIKeyWYNLAZACHCWVOG-UHFFFAOYSA-N
XLogP-0.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate 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

1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate
CID 61176470
methyl 3-(2-methylpiperidin-1-yl)butanoate
CID 43537243
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
methyl (3S)-3-piperidin-1-ylbutanoate
CID 93106362
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 64662468
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162
methyl 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]butanoate
CID 103441682
1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
CID 178090497
ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate
CID 65320107
methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate (CID 43537409) is methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate is COC(=O)CC(C)N1CCCC1C(N)=O.
What is the InChIKey of methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate?
The InChIKey is WYNLAZACHCWVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(6-9(13)15-2)12-5-3-4-8(12)10(11)14/h7-8H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate?
methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate has a molecular weight of 214.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 43537409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).