(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid

C14H16ClNO3 — CID 124736619

IUPAC(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-8-6-10(8)14(19)16-12(7-13(17)18)9-4-2-3-5-11(9)15/h2-5,8,10,12H,6-7H2,1H3,(H,16,19)(H,17,18)/t8-,10+,12-/m1/s1
InChIKeyPAZBOJQAECXGSN-UBHAPETDSA-N
MW281.74 g/mol
LogP2.63
Rot. Bonds5

About (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid

(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid (PubChem CID 124736619) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
PubChem CID124736619
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-8-6-10(8)14(19)16-12(7-13(17)18)9-4-2-3-5-11(9)15/h2-5,8,10,12H,6-7H2,1H3,(H,16,19)(H,17,18)/t8-,10+,12-/m1/s1
InChIKeyPAZBOJQAECXGSN-UBHAPETDSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate
CID 38590811
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 86903328
3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid
CID 71896146
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
CID 125467429
3-(2-chlorophenyl)butanoic acid
CID 54775987
3-(cyclohexanecarbonylamino)-3-(2-fluorophenyl)propanoic acid
CID 166313098
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
2,2,2-trifluoroethyl 2-[[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylate;hydrochloride
CID 90485497

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid (CID 124736619) is (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid is C[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)O)c1ccccc1Cl.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is PAZBOJQAECXGSN-UBHAPETDSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-8-6-10(8)14(19)16-12(7-13(17)18)9-4-2-3-5-11(9)15/h2-5,8,10,12H,6-7H2,1H3,(H,16,19)(H,17,18)/t8-,10+,12-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid?
(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 281.74 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 124736619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).