cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate

C26H32ClN3O4 — CID 145488452

IUPACcis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate
SMILESNCCC[C@H](NCc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C26H32ClN3O4/c27-20-13-11-18(12-14-20)16-29-23(10-5-15-28)25(32)30-22-9-4-8-21(22)26(33)34-17-24(31)19-6-2-1-3-7-19/h1-3,6-7,11-14,21-23,29H,4-5,8-10,15-17,28H2,(H,30,32)/t21-,22+,23+/m1/s1
InChIKeyLCFYSWHVQQGVKG-VJBWXMMDSA-N
MW486.01 g/mol
LogP3.25
Rot. Bonds12

About cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate

cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate (PubChem CID 145488452) has the molecular formula C26H32ClN3O4 and a molecular weight of 486.01 g/mol. Its IUPAC name is cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate
PubChem CID145488452
Molecular FormulaC26H32ClN3O4
Molecular Weight486.01 g/mol
Exact Mass485.21
IUPAC Namecis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate
SMILESNCCC[C@H](NCc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C26H32ClN3O4/c27-20-13-11-18(12-14-20)16-29-23(10-5-15-28)25(32)30-22-9-4-8-21(22)26(33)34-17-24(31)19-6-2-1-3-7-19/h1-3,6-7,11-14,21-23,29H,4-5,8-10,15-17,28H2,(H,30,32)/t21-,22+,23+/m1/s1
InChIKeyLCFYSWHVQQGVKG-VJBWXMMDSA-N
XLogP3.25
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.01
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate with MolForge

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Related Compounds

cis-phenacyl (1R,2S)-2-[[(2S)-2-(naphthalene-2-carbonylamino)hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453968
cis-phenacyl (1R,2S)-2-[[(2S)-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanoyl]amino]cyclopentane-1-carboxylate
CID 59454074
2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 145488382
cis-(1R,2S)-2-[[(2S)-5-amino-2-(isoquinoline-3-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 163857323
2-[[5-amino-2-(imidazo[1,2-a]pyridine-6-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 145488362
(2R)-1-[6-amino-2-[(4-chlorophenyl)methylamino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 174671257
cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate
CID 145488282
cis-tert-butyl (1R,2S)-2-[[(2S)-2-[(3-methoxyphenyl)methylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate
CID 86644638
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
acetyl chloride;6-amino-2-(benzylamino)hexanoic acid
CID 174530282
bis[2-(4-chlorophenyl)-2-oxoethyl] (1S,2S)-cyclohex-4-ene-1,2-dicarboxylate
CID 1217354
(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoic acid
CID 25028365

Frequently Asked Questions

What is the IUPAC name of cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate (CID 145488452) is cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate is NCCC[C@H](NCc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is LCFYSWHVQQGVKG-VJBWXMMDSA-N. The full InChI is InChI=1S/C26H32ClN3O4/c27-20-13-11-18(12-14-20)16-29-23(10-5-15-28)25(32)30-22-9-4-8-21(22)26(33)34-17-24(31)19-6-2-1-3-7-19/h1-3,6-7,11-14,21-23,29H,4-5,8-10,15-17,28H2,(H,30,32)/t21-,22+,23+/m1/s1.
What are the key properties of cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate?
cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 486.01 g/mol, XLogP of 3.25, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 145488452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).