(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid

C19H17F2NO3 — CID 119367456

IUPAC(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2NO3/c20-15-7-6-12(9-16(15)21)13-10-14(13)18(23)22-17(19(24)25)8-11-4-2-1-3-5-11/h1-7,9,13-14,17H,8,10H2,(H,22,23)(H,24,25)/t13?,14?,17-/m1/s1
InChIKeyWIQCHYUZZBALIA-MQBCKMQZSA-N
MW345.35 g/mol
LogP2.88
Rot. Bonds6

About (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid

(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid (PubChem CID 119367456) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
PubChem CID119367456
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2NO3/c20-15-7-6-12(9-16(15)21)13-10-14(13)18(23)22-17(19(24)25)8-11-4-2-1-3-5-11/h1-7,9,13-14,17H,8,10H2,(H,22,23)(H,24,25)/t13?,14?,17-/m1/s1
InChIKeyWIQCHYUZZBALIA-MQBCKMQZSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695218
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
CID 109479076
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107823606
(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
CID 120547279
4-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119352986
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 99779679
(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 104979108
methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 86903328
2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid (CID 119367456) is (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid?
The InChIKey is WIQCHYUZZBALIA-MQBCKMQZSA-N. The full InChI is InChI=1S/C19H17F2NO3/c20-15-7-6-12(9-16(15)21)13-10-14(13)18(23)22-17(19(24)25)8-11-4-2-1-3-5-11/h1-7,9,13-14,17H,8,10H2,(H,22,23)(H,24,25)/t13?,14?,17-/m1/s1.
What are the key properties of (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid has a molecular weight of 345.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119367456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).