3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid

C14H18N2O4 — CID 106108848

IUPAC3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C1(c2ccc(N)cc2)CC1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-11(12(17)18)8-16-13(19)14(6-7-14)9-2-4-10(15)5-3-9/h2-5,11H,6-8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyUGYUKDCMPRTXLB-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.52
Rot. Bonds6

About 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid

3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid (PubChem CID 106108848) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
PubChem CID106108848
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C1(c2ccc(N)cc2)CC1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-11(12(17)18)8-16-13(19)14(6-7-14)9-2-4-10(15)5-3-9/h2-5,11H,6-8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyUGYUKDCMPRTXLB-UHFFFAOYSA-N
XLogP0.52
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
3-[3-(4-aminophenyl)propanoylamino]-2-methoxypropanoic acid
CID 106108939
1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 115913536
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-(1,1-dimethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 115913719
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930585
(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930596
4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-methoxybutanoic acid
CID 103153093

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid (CID 106108848) is 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)C1(c2ccc(N)cc2)CC1)C(=O)O.
What is the InChIKey of 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid?
The InChIKey is UGYUKDCMPRTXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-11(12(17)18)8-16-13(19)14(6-7-14)9-2-4-10(15)5-3-9/h2-5,11H,6-8,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid?
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).