1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid

C14H19N3O5 — CID 119175876

IUPAC1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CCCCC1C(=O)O)NCc1ccco1
InChIInChI=1S/C14H19N3O5/c18-12(17-6-2-1-5-11(17)13(19)20)9-16-14(21)15-8-10-4-3-7-22-10/h3-4,7,11H,1-2,5-6,8-9H2,(H,19,20)(H2,15,16,21)
InChIKeyXJZGWVSMZCMRTH-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.54
Rot. Bonds5

About 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid

1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 119175876) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID119175876
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CCCCC1C(=O)O)NCc1ccco1
InChIInChI=1S/C14H19N3O5/c18-12(17-6-2-1-5-11(17)13(19)20)9-16-14(21)15-8-10-4-3-7-22-10/h3-4,7,11H,1-2,5-6,8-9H2,(H,19,20)(H2,15,16,21)
InChIKeyXJZGWVSMZCMRTH-UHFFFAOYSA-N
XLogP0.54
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678128
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543
N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 60544041
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
CID 119176267
(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid
CID 22958470
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
(2R)-1-[2-(3-fluorophenyl)acetyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95282764

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid (CID 119175876) is 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid is O=C(NCC(=O)N1CCCCC1C(=O)O)NCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is XJZGWVSMZCMRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c18-12(17-6-2-1-5-11(17)13(19)20)9-16-14(21)15-8-10-4-3-7-22-10/h3-4,7,11H,1-2,5-6,8-9H2,(H,19,20)(H2,15,16,21).
What are the key properties of 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid?
1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119175876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).