N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide

C11H17N3O2 — CID 86785540

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C#N)CCCCC1)C(N)=O
InChIInChI=1S/C11H17N3O2/c1-8(9(13)15)14-10(16)11(7-12)5-3-2-4-6-11/h8H,2-6H2,1H3,(H2,13,15)(H,14,16)/t8-/m0/s1
InChIKeyDIHUTGPPIGCQIQ-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds3

About N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide (PubChem CID 86785540) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
PubChem CID86785540
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C#N)CCCCC1)C(N)=O
InChIInChI=1S/C11H17N3O2/c1-8(9(13)15)14-10(16)11(7-12)5-3-2-4-6-11/h8H,2-6H2,1H3,(H2,13,15)(H,14,16)/t8-/m0/s1
InChIKeyDIHUTGPPIGCQIQ-QMMMGPOBSA-N
XLogP0.45
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide (CID 86785540) is N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide is C[C@H](NC(=O)C1(C#N)CCCCC1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide?
The InChIKey is DIHUTGPPIGCQIQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(9(13)15)14-10(16)11(7-12)5-3-2-4-6-11/h8H,2-6H2,1H3,(H2,13,15)(H,14,16)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide is sourced from PubChem (CID 86785540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).