cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid

C12H17NO3 — CID 51556928

IUPACcis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCC[C@H]1NCc1ccco1
InChIInChI=1S/C12H17NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h3-4,7,10-11,13H,1-2,5-6,8H2,(H,14,15)/t10-,11+/m0/s1
InChIKeySWPHLTJACFTRIP-WDEREUQCSA-N
MW223.27 g/mol
LogP2.01
Rot. Bonds4

About cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid (PubChem CID 51556928) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
PubChem CID51556928
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namecis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCC[C@H]1NCc1ccco1
InChIInChI=1S/C12H17NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h3-4,7,10-11,13H,1-2,5-6,8H2,(H,14,15)/t10-,11+/m0/s1
InChIKeySWPHLTJACFTRIP-WDEREUQCSA-N
XLogP2.01
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51440657
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
CID 124676095
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
2-cyclohexyl-N-(furan-2-ylmethyl)cyclopropan-1-amine
CID 115655073
2-(furan-2-ylmethylamino)-N-(2-methylcyclohexyl)acetamide
CID 54773430
2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 54867947
N-(furan-2-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046629
N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695350
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
[(3S,3aR,6R,6aS)-3-(furan-2-ylmethylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate
CID 11884580

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid (CID 51556928) is cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid is O=C(O)[C@H]1CCCC[C@H]1NCc1ccco1.
What is the InChIKey of cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SWPHLTJACFTRIP-WDEREUQCSA-N. The full InChI is InChI=1S/C12H17NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h3-4,7,10-11,13H,1-2,5-6,8H2,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 51556928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).