N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

C16H28N4O3 — CID 11809509

IUPACN-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)C(C)C
InChIInChI=1S/C16H28N4O3/c1-11(2)9-13(15(21)18-14(10-17)12(3)4)19-16(22)20-5-7-23-8-6-20/h11-14H,5-9H2,1-4H3,(H,18,21)(H,19,22)/t13-,14+/m0/s1
InChIKeyVKLZIEYGJGCALM-UONOGXRCSA-N
MW324.43 g/mol
LogP1.11
Rot. Bonds6

About N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 11809509) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID11809509
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)C(C)C
InChIInChI=1S/C16H28N4O3/c1-11(2)9-13(15(21)18-14(10-17)12(3)4)19-16(22)20-5-7-23-8-6-20/h11-14H,5-9H2,1-4H3,(H,18,21)(H,19,22)/t13-,14+/m0/s1
InChIKeyVKLZIEYGJGCALM-UONOGXRCSA-N
XLogP1.11
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 11809509) is N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)C(C)C.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is VKLZIEYGJGCALM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(2)9-13(15(21)18-14(10-17)12(3)4)19-16(22)20-5-7-23-8-6-20/h11-14H,5-9H2,1-4H3,(H,18,21)(H,19,22)/t13-,14+/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11809509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).