(3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide

C16H23ClN4O2 — CID 100755826

IUPAC(3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide
SMILESCCN(CC(=O)N[C@@H]1CCN(C(N)=O)C1)Cc1ccccc1Cl
InChIInChI=1S/C16H23ClN4O2/c1-2-20(9-12-5-3-4-6-14(12)17)11-15(22)19-13-7-8-21(10-13)16(18)23/h3-6,13H,2,7-11H2,1H3,(H2,18,23)(H,19,22)/t13-/m1/s1
InChIKeyNDWUYOAGBCVYHF-CYBMUJFWSA-N
MW338.84 g/mol
LogP1.43
Rot. Bonds6

About (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide

(3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide (PubChem CID 100755826) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide
PubChem CID100755826
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name(3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide
SMILESCCN(CC(=O)N[C@@H]1CCN(C(N)=O)C1)Cc1ccccc1Cl
InChIInChI=1S/C16H23ClN4O2/c1-2-20(9-12-5-3-4-6-14(12)17)11-15(22)19-13-7-8-21(10-13)16(18)23/h3-6,13H,2,7-11H2,1H3,(H2,18,23)(H,19,22)/t13-/m1/s1
InChIKeyNDWUYOAGBCVYHF-CYBMUJFWSA-N
XLogP1.43
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide 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

2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60508609
3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxamide
CID 130678398
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520
(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide
CID 97243727
(2-chlorophenyl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8542384
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
CID 113171159
ethyl 4-[[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111044387
(3R)-3-[[(3R)-4-(4-chlorophenyl)-3-methylbutanoyl]amino]pyrrolidine-1-carboxamide
CID 97057305
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
ethyl 4-[[N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111330216
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
CID 55683370

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide (CID 100755826) is (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide is CCN(CC(=O)N[C@@H]1CCN(C(N)=O)C1)Cc1ccccc1Cl.
What is the InChIKey of (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide?
The InChIKey is NDWUYOAGBCVYHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-2-20(9-12-5-3-4-6-14(12)17)11-15(22)19-13-7-8-21(10-13)16(18)23/h3-6,13H,2,7-11H2,1H3,(H2,18,23)(H,19,22)/t13-/m1/s1.
What are the key properties of (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide?
(3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 100755826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).