[1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate

C24H29ClN4O4 — CID 69163088

IUPAC[1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCC2(C(C(N)=O)c3ccccc3Cl)CCN(C(=O)CN)C2)cc1
InChIInChI=1S/C24H29ClN4O4/c1-2-16-7-9-17(10-8-16)28-23(32)33-15-24(11-12-29(14-24)20(30)13-26)21(22(27)31)18-5-3-4-6-19(18)25/h3-10,21H,2,11-15,26H2,1H3,(H2,27,31)(H,28,32)
InChIKeyGDHQPKYKGFPKKT-UHFFFAOYSA-N
MW472.97 g/mol
LogP2.90
Rot. Bonds8

About [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate

[1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate (PubChem CID 69163088) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate.

Molecular Properties

Compound Name[1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate
PubChem CID69163088
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Name[1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCC2(C(C(N)=O)c3ccccc3Cl)CCN(C(=O)CN)C2)cc1
InChIInChI=1S/C24H29ClN4O4/c1-2-16-7-9-17(10-8-16)28-23(32)33-15-24(11-12-29(14-24)20(30)13-26)21(22(27)31)18-5-3-4-6-19(18)25/h3-10,21H,2,11-15,26H2,1H3,(H2,27,31)(H,28,32)
InChIKeyGDHQPKYKGFPKKT-UHFFFAOYSA-N
XLogP2.90
TPSA127.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate with MolForge

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Related Compounds

[4-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]-1-(4-amino-2-hydroxybutanoyl)piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 69163369
[4-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]-1-(2-amino-3-cyanopropanoyl)piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 69163426
[1-(2-aminoacetyl)-4-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]piperidin-4-yl]methyl N-(5-phenyl-1,3,4-thiadiazol-2-yl)carbamate
CID 66622654
[1-(2-aminoacetyl)-4-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]piperidin-4-yl]methyl N-(5-phenyl-2-pyridinyl)carbamate
CID 66622624
2-[1-(2-aminoacetyl)-4-[(2-chlorophenyl)methylcarbamoyl]piperidin-4-yl]ethyl N-(4-ethylphenyl)carbamate
CID 59778578
[1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 91165724
[(2S)-1-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-yl]methyl N-(4-ethylphenyl)carbamate
CID 25026014
[1-(2-aminoacetyl)-4-[(2-bromophenyl)methylcarbamoyl]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 59778466
[1-(2-amino-2-methylpropanoyl)-4-[[2-(2-chlorophenyl)acetyl]amino]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 25024829
[4-[(2-chlorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 59778503
tert-butyl N-[1-[4-[(2-chlorophenyl)methylcarbamoyl]-4-[(4-ethylphenyl)carbamoyloxymethyl]piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 59778424
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate?
The IUPAC name of [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate (CID 69163088) is [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate.
What is the SMILES notation for [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate?
The canonical SMILES for [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate is CCc1ccc(NC(=O)OCC2(C(C(N)=O)c3ccccc3Cl)CCN(C(=O)CN)C2)cc1.
What is the InChIKey of [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate?
The InChIKey is GDHQPKYKGFPKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-2-16-7-9-17(10-8-16)28-23(32)33-15-24(11-12-29(14-24)20(30)13-26)21(22(27)31)18-5-3-4-6-19(18)25/h3-10,21H,2,11-15,26H2,1H3,(H2,27,31)(H,28,32).
What are the key properties of [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate?
[1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate has a molecular weight of 472.97 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoacetyl)-3-[2-amino-1-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-3-yl]methyl N-(4-ethylphenyl)carbamate is sourced from PubChem (CID 69163088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).