N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide

C10H13N3O2 — CID 81400149

IUPACN-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC#N)c1ccco1
InChIInChI=1S/C10H13N3O2/c1-8(9-3-2-6-15-9)13-7-10(14)12-5-4-11/h2-3,6,8,13H,5,7H2,1H3,(H,12,14)/t8-/m1/s1
InChIKeyXPPRYLZZIZZMBP-MRVPVSSYSA-N
MW207.23 g/mol
LogP0.57
Rot. Bonds5

About N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide

N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide (PubChem CID 81400149) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
PubChem CID81400149
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC#N)c1ccco1
InChIInChI=1S/C10H13N3O2/c1-8(9-3-2-6-15-9)13-7-10(14)12-5-4-11/h2-3,6,8,13H,5,7H2,1H3,(H,12,14)/t8-/m1/s1
InChIKeyXPPRYLZZIZZMBP-MRVPVSSYSA-N
XLogP0.57
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
N-carbamoyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401074
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8917972
N-(cyanomethyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81356886
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
CID 81399983
N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide
CID 8919664
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
N,N-diethyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401823
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917883
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8922326
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide (CID 81400149) is N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide is C[C@@H](NCC(=O)NCC#N)c1ccco1.
What is the InChIKey of N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
The InChIKey is XPPRYLZZIZZMBP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8(9-3-2-6-15-9)13-7-10(14)12-5-4-11/h2-3,6,8,13H,5,7H2,1H3,(H,12,14)/t8-/m1/s1.
What are the key properties of N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide has a molecular weight of 207.23 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 81400149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).