1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid

C15H19NO5 — CID 170830862

IUPAC1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCC(O)C(O)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO5/c1-9(17)16-8-12(18)13(19)10-2-4-11(5-3-10)15(6-7-15)14(20)21/h2-5,12-13,18-19H,6-8H2,1H3,(H,16,17)(H,20,21)
InChIKeyFJCIQECHHPMEEA-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.33
Rot. Bonds6

About 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 170830862) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID170830862
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCC(O)C(O)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO5/c1-9(17)16-8-12(18)13(19)10-2-4-11(5-3-10)15(6-7-15)14(20)21/h2-5,12-13,18-19H,6-8H2,1H3,(H,16,17)(H,20,21)
InChIKeyFJCIQECHHPMEEA-UHFFFAOYSA-N
XLogP0.33
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831226
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
1-[4-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)phenyl]cyclopropane-1-carboxylic acid
CID 171898186
N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830453
[4-(3-acetamido-1,2-dihydroxypropyl)phenyl] acetate
CID 170831378
1-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]cyclopropane-1-carboxylic acid
CID 171858743
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide
CID 170830289

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid (CID 170830862) is 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid is CC(=O)NCC(O)C(O)c1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is FJCIQECHHPMEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(17)16-8-12(18)13(19)10-2-4-11(5-3-10)15(6-7-15)14(20)21/h2-5,12-13,18-19H,6-8H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 170830862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).