methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate

C17H23NO3 — CID 78971251

IUPACmethyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H23NO3/c1-11(2)9-15(17(20)21-3)18-16(19)14-10-13(14)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3,(H,18,19)
InChIKeyOLTHWIYALITHDK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds6

About methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate

methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate (PubChem CID 78971251) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
PubChem CID78971251
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H23NO3/c1-11(2)9-15(17(20)21-3)18-16(19)14-10-13(14)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3,(H,18,19)
InChIKeyOLTHWIYALITHDK-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
CID 43404380
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188628
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107823606
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188260
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119362074
methyl (2S)-2-[[(2S)-2-[[(1S,2R)-2-[(1S)-2-amino-1-hydroxyethyl]cyclopropanecarbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 10812032
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
methyl (2S)-2-[[(3S,4S)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 135210896

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate (CID 78971251) is methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)C1CC1c1ccccc1.
What is the InChIKey of methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate?
The InChIKey is OLTHWIYALITHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(2)9-15(17(20)21-3)18-16(19)14-10-13(14)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3,(H,18,19).
What are the key properties of methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate?
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate has a molecular weight of 289.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate is sourced from PubChem (CID 78971251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).