(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid

C14H18N2O5 — CID 81120339

IUPAC(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H18N2O5/c1-9(15-12(17)11-5-3-7-21-11)13(18)16-6-2-4-10(8-16)14(19)20/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,15,17)(H,19,20)/t9?,10-/m0/s1
InChIKeyZQFCBRKCWAWTGF-AXDSSHIGSA-N
MW294.31 g/mol
LogP0.72
Rot. Bonds4

About (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid

(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid (PubChem CID 81120339) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
PubChem CID81120339
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H18N2O5/c1-9(15-12(17)11-5-3-7-21-11)13(18)16-6-2-4-10(8-16)14(19)20/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,15,17)(H,19,20)/t9?,10-/m0/s1
InChIKeyZQFCBRKCWAWTGF-AXDSSHIGSA-N
XLogP0.72
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119401
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 115775311
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 43355771
N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
1-[2-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167781
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
CID 136526076
(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118861

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid (CID 81120339) is (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid is CC(NC(=O)c1ccco1)C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is ZQFCBRKCWAWTGF-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(15-12(17)11-5-3-7-21-11)13(18)16-6-2-4-10(8-16)14(19)20/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,15,17)(H,19,20)/t9?,10-/m0/s1.
What are the key properties of (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).