(2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid

C14H17FN2O3 — CID 164527590

IUPAC(2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid
SMILESCC1(c2cc(F)cc(C(=O)NC[C@@H](N)C(=O)O)c2)CC1
InChIInChI=1S/C14H17FN2O3/c1-14(2-3-14)9-4-8(5-10(15)6-9)12(18)17-7-11(16)13(19)20/h4-6,11H,2-3,7,16H2,1H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyUYKJZDYYQOOTII-LLVKDONJSA-N
MW280.30 g/mol
LogP1.02
Rot. Bonds5

About (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid

(2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid (PubChem CID 164527590) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid
PubChem CID164527590
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid
SMILESCC1(c2cc(F)cc(C(=O)NC[C@@H](N)C(=O)O)c2)CC1
InChIInChI=1S/C14H17FN2O3/c1-14(2-3-14)9-4-8(5-10(15)6-9)12(18)17-7-11(16)13(19)20/h4-6,11H,2-3,7,16H2,1H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyUYKJZDYYQOOTII-LLVKDONJSA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-[[3-fluoro-5-(5-propan-2-yl-1,2-thiazolidin-4-yl)benzoyl]amino]propanoic acid
CID 167115977
(2R)-2-amino-3-[[3-(2-ethyl-4-methylpyrazolidin-3-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527298
(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid
CID 164526841
(2R)-2-amino-3-[[3-(5-tert-butyl-1,2-oxazol-4-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527264
2-amino-3-[[3-(3-ethylimidazol-4-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527008
(2R)-2-amino-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164526780
2-amino-3-[[3-(2-carbamoylphenyl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527255
2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
CID 69303250
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
(2R)-2-amino-3-[[3-[4-(difluoromethyl)-1-propylpyrazol-5-yl]-5-fluorobenzoyl]amino]propanoic acid
CID 164527065
(2R)-2-amino-3-[[3-fluoro-5-[4-(methoxymethyl)-1-methylpyrazol-3-yl]benzoyl]amino]propanoic acid
CID 164527223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid (CID 164527590) is (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid is CC1(c2cc(F)cc(C(=O)NC[C@@H](N)C(=O)O)c2)CC1.
What is the InChIKey of (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid?
The InChIKey is UYKJZDYYQOOTII-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(2-3-14)9-4-8(5-10(15)6-9)12(18)17-7-11(16)13(19)20/h4-6,11H,2-3,7,16H2,1H3,(H,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid?
(2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[3-fluoro-5-(1-methylcyclopropyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 164527590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).