cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17FN2O4 — CID 106319304

IUPACcis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1F
InChIInChI=1S/C14H17FN2O4/c1-21-12-5-4-10(7-11(12)15)17-14(20)16-9-3-2-8(6-9)13(18)19/h4-5,7-9H,2-3,6H2,1H3,(H,18,19)(H2,16,17,20)/t8-,9+/m1/s1
InChIKeyMJOXBKPCZVPHRT-BDAKNGLRSA-N
MW296.30 g/mol
LogP2.21
Rot. Bonds4

About cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106319304) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106319304
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Namecis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1F
InChIInChI=1S/C14H17FN2O4/c1-21-12-5-4-10(7-11(12)15)17-14(20)16-9-3-2-8(6-9)13(18)19/h4-5,7-9H,2-3,6H2,1H3,(H,18,19)(H2,16,17,20)/t8-,9+/m1/s1
InChIKeyMJOXBKPCZVPHRT-BDAKNGLRSA-N
XLogP2.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928
4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086184
3-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104780167
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
4-[[3-methoxy-4-(3-methoxypropoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122093253
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
4-[(3,5-dimethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094174
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106319304) is cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is COc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1F.
What is the InChIKey of cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is MJOXBKPCZVPHRT-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-21-12-5-4-10(7-11(12)15)17-14(20)16-9-3-2-8(6-9)13(18)19/h4-5,7-9H,2-3,6H2,1H3,(H,18,19)(H2,16,17,20)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).