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

C16H28N4O3 — CID 11823521

IUPACN-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCCC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-4-5-13(11-17)18-15(21)14(10-12(2)3)19-16(22)20-6-8-23-9-7-20/h12-14H,4-10H2,1-3H3,(H,18,21)(H,19,22)/t13-,14-/m0/s1
InChIKeyIUMFEPRASNNNHC-KBPBESRZSA-N
MW324.43 g/mol
LogP1.25
Rot. Bonds7

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

N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 11823521) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID11823521
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCCC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-4-5-13(11-17)18-15(21)14(10-12(2)3)19-16(22)20-6-8-23-9-7-20/h12-14H,4-10H2,1-3H3,(H,18,21)(H,19,22)/t13-,14-/m0/s1
InChIKeyIUMFEPRASNNNHC-KBPBESRZSA-N
XLogP1.25
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.25
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-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 11823521) is N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CCC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is IUMFEPRASNNNHC-KBPBESRZSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-4-5-13(11-17)18-15(21)14(10-12(2)3)19-16(22)20-6-8-23-9-7-20/h12-14H,4-10H2,1-3H3,(H,18,21)(H,19,22)/t13-,14-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.25, 7 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-cyanobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11823521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).