2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid

C14H17FN2O4 — CID 61199203

IUPAC2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H17FN2O4/c1-14(12(18)19,8-3-4-8)17-13(20)16-9-5-6-11(21-2)10(15)7-9/h5-8H,3-4H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyRWKPYPLNQRXZDP-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.21
Rot. Bonds5

About 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid

2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid (PubChem CID 61199203) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
PubChem CID61199203
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H17FN2O4/c1-14(12(18)19,8-3-4-8)17-13(20)16-9-5-6-11(21-2)10(15)7-9/h5-8H,3-4H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyRWKPYPLNQRXZDP-UHFFFAOYSA-N
XLogP2.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 43163255
1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754626
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid
CID 43361649
3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177412
2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283788
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
CID 61408631

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid (CID 61199203) is 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid is COc1ccc(NC(=O)NC(C)(C(=O)O)C2CC2)cc1F.
What is the InChIKey of 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid?
The InChIKey is RWKPYPLNQRXZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-14(12(18)19,8-3-4-8)17-13(20)16-9-5-6-11(21-2)10(15)7-9/h5-8H,3-4H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid?
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid has a molecular weight of 296.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61199203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).