methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate

C15H26N2O3 — CID 42429826

IUPACmethyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](NC(C)=O)CN1CC1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(18)16-13-8-14(15(19)20-2)17(10-13)9-12-6-4-3-5-7-12/h12-14H,3-10H2,1-2H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyIHISVVYQHDDHMR-KBPBESRZSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds4

About methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate (PubChem CID 42429826) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
PubChem CID42429826
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](NC(C)=O)CN1CC1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(18)16-13-8-14(15(19)20-2)17(10-13)9-12-6-4-3-5-7-12/h12-14H,3-10H2,1-2H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyIHISVVYQHDDHMR-KBPBESRZSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate 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

methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
CID 112581184
methyl 1-(cyclobutylmethyl)azetidine-2-carboxylate
CID 112581178
N-[1-(cyclopentylmethyl)-5-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542022
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
(2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide
CID 72870377
methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 154779810
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972
methyl 4-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 154796496
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112544101
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate (CID 42429826) is methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](NC(C)=O)CN1CC1CCCCC1.
What is the InChIKey of methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is IHISVVYQHDDHMR-KBPBESRZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(18)16-13-8-14(15(19)20-2)17(10-13)9-12-6-4-3-5-7-12/h12-14H,3-10H2,1-2H3,(H,16,18)/t13-,14-/m0/s1.
What are the key properties of methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate?
methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 42429826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).