cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

C12H16N2O4 — CID 106320151

IUPACcis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccoc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H16N2O4/c15-11(16)9-1-2-10(5-9)14-12(17)13-6-8-3-4-18-7-8/h3-4,7,9-10H,1-2,5-6H2,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1
InChIKeyMCWBCDDCKRBZBO-ZJUUUORDSA-N
MW252.27 g/mol
LogP1.33
Rot. Bonds4

About cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106320151) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106320151
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namecis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccoc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H16N2O4/c15-11(16)9-1-2-10(5-9)14-12(17)13-6-8-3-4-18-7-8/h3-4,7,9-10H,1-2,5-6H2,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1
InChIKeyMCWBCDDCKRBZBO-ZJUUUORDSA-N
XLogP1.33
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 81178610
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
cis-(1R,3S)-3-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319772
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106005432
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678128
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106320151) is cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCc1ccoc1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is MCWBCDDCKRBZBO-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-11(16)9-1-2-10(5-9)14-12(17)13-6-8-3-4-18-7-8/h3-4,7,9-10H,1-2,5-6H2,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.33, 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-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).