methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride

C16H23ClN2O3 — CID 119726356

IUPACmethyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-21-16(20)14(9-11-5-3-2-4-6-11)18-15(19)12-7-8-13(17)10-12;/h2-6,12-14H,7-10,17H2,1H3,(H,18,19);1H
InChIKeyGQJAOCIHZGQOBT-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.44
Rot. Bonds5

About methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride

methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride (PubChem CID 119726356) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
PubChem CID119726356
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Namemethyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-21-16(20)14(9-11-5-3-2-4-6-11)18-15(19)12-7-8-13(17)10-12;/h2-6,12-14H,7-10,17H2,1H3,(H,18,19);1H
InChIKeyGQJAOCIHZGQOBT-UHFFFAOYSA-N
XLogP1.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
methyl (2S)-3-phenyl-2-[[(2S)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]propanoate
CID 143932319
2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791265
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 42650262
methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate
CID 67989155
[(2S)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoyl] (2S)-2-amino-3-phenylpropanoate
CID 10139735
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
cis-(1R,3S)-1-N,3-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1,3-dicarboxamide
CID 122647183
methyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-3-phenylpropanoate
CID 119290976

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride?
The IUPAC name of methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride (CID 119726356) is methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride is COC(=O)C(Cc1ccccc1)NC(=O)C1CCC(N)C1.Cl.
What is the InChIKey of methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride?
The InChIKey is GQJAOCIHZGQOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-21-16(20)14(9-11-5-3-2-4-6-11)18-15(19)12-7-8-13(17)10-12;/h2-6,12-14H,7-10,17H2,1H3,(H,18,19);1H.
What are the key properties of methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride?
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 119726356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).