5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide

C12H14N2O3 — CID 81401039

IUPAC5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(CN)o1)c1ccco1
InChIInChI=1S/C12H14N2O3/c1-8(10-3-2-6-16-10)14-12(15)11-5-4-9(7-13)17-11/h2-6,8H,7,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyBCFYSLCNVLKVFE-QMMMGPOBSA-N
MW234.25 g/mol
LogP1.82
Rot. Bonds4

About 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide

5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide (PubChem CID 81401039) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide
PubChem CID81401039
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(CN)o1)c1ccco1
InChIInChI=1S/C12H14N2O3/c1-8(10-3-2-6-16-10)14-12(15)11-5-4-9(7-13)17-11/h2-6,8H,7,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyBCFYSLCNVLKVFE-QMMMGPOBSA-N
XLogP1.82
TPSA81.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 81354268
5-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 81373778
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 10401418
N-[1-(furan-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378104
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
5-(3-aminoprop-1-ynyl)-N-[1-(furan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696391
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741
1-amino-N-[(1R)-1-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 81400423

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide (CID 81401039) is 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccc(CN)o1)c1ccco1.
What is the InChIKey of 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is BCFYSLCNVLKVFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(10-3-2-6-16-10)14-12(15)11-5-4-9(7-13)17-11/h2-6,8H,7,13H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide?
5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 81401039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).