5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid

C12H16N2O4 — CID 104914288

IUPAC5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2)o1
InChIInChI=1S/C12H16N2O4/c15-11(9-3-1-2-6-13-9)14-7-8-4-5-10(18-8)12(16)17/h4-5,9,13H,1-3,6-7H2,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyLGZCMWCMPHEKAU-SECBINFHSA-N
MW252.27 g/mol
LogP0.74
Rot. Bonds4

About 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 104914288) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID104914288
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2)o1
InChIInChI=1S/C12H16N2O4/c15-11(9-3-1-2-6-13-9)14-7-8-4-5-10(18-8)12(16)17/h4-5,9,13H,1-3,6-7H2,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyLGZCMWCMPHEKAU-SECBINFHSA-N
XLogP0.74
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide
CID 119343567
N-[(5-methylfuran-2-yl)methyl]azepane-2-carboxamide
CID 64571161
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
5-[[(1,1-dioxothiane-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104517743
5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 107175730
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119834969
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid (CID 104914288) is 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2)o1.
What is the InChIKey of 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is LGZCMWCMPHEKAU-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-11(9-3-1-2-6-13-9)14-7-8-4-5-10(18-8)12(16)17/h4-5,9,13H,1-3,6-7H2,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 104914288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).