3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid

C17H23NO5 — CID 108796795

IUPAC3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(C(CC(=O)O)NC(=O)C2CC2)cc1OC
InChIInChI=1S/C17H23NO5/c1-3-8-23-14-7-6-12(9-15(14)22-2)13(10-16(19)20)18-17(21)11-4-5-11/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNBXNQQNMHQFOGM-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.53
Rot. Bonds9

About 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid

3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid (PubChem CID 108796795) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid
PubChem CID108796795
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(C(CC(=O)O)NC(=O)C2CC2)cc1OC
InChIInChI=1S/C17H23NO5/c1-3-8-23-14-7-6-12(9-15(14)22-2)13(10-16(19)20)18-17(21)11-4-5-11/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNBXNQQNMHQFOGM-UHFFFAOYSA-N
XLogP2.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexanecarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 3621497
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
3-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108788313
3-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108791269
3-(3-methoxy-4-propoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 108797098
3-(3-methoxy-4-propoxyphenyl)hexanoic acid
CID 83958717
3-acetamido-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 5121115
3-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108796972
3-(3,4-dimethoxyphenyl)-3-[(5-methyloxolane-2-carbonyl)amino]propanoic acid
CID 120512446
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid?
The IUPAC name of 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid (CID 108796795) is 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid is CCCOc1ccc(C(CC(=O)O)NC(=O)C2CC2)cc1OC.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid?
The InChIKey is NBXNQQNMHQFOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-3-8-23-14-7-6-12(9-15(14)22-2)13(10-16(19)20)18-17(21)11-4-5-11/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid?
3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid has a molecular weight of 321.37 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid is sourced from PubChem (CID 108796795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).