N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C14H19N3O3 — CID 95299394

IUPACN-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(C)C[C@H](C#N)NC(=O)[C@H](C)NC(=O)c1ccoc1
InChIInChI=1S/C14H19N3O3/c1-9(2)6-12(7-15)17-13(18)10(3)16-14(19)11-4-5-20-8-11/h4-5,8-10,12H,6H2,1-3H3,(H,16,19)(H,17,18)/t10-,12+/m0/s1
InChIKeyCPGPKMOYGPHCOD-CMPLNLGQSA-N
MW277.32 g/mol
LogP1.45
Rot. Bonds6

About N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 95299394) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID95299394
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(C)C[C@H](C#N)NC(=O)[C@H](C)NC(=O)c1ccoc1
InChIInChI=1S/C14H19N3O3/c1-9(2)6-12(7-15)17-13(18)10(3)16-14(19)11-4-5-20-8-11/h4-5,8-10,12H,6H2,1-3H3,(H,16,19)(H,17,18)/t10-,12+/m0/s1
InChIKeyCPGPKMOYGPHCOD-CMPLNLGQSA-N
XLogP1.45
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 95299394) is N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is CC(C)C[C@H](C#N)NC(=O)[C@H](C)NC(=O)c1ccoc1.
What is the InChIKey of N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is CPGPKMOYGPHCOD-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)6-12(7-15)17-13(18)10(3)16-14(19)11-4-5-20-8-11/h4-5,8-10,12H,6H2,1-3H3,(H,16,19)(H,17,18)/t10-,12+/m0/s1.
What are the key properties of N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 95299394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).