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

C17H30N4O3 — CID 11823960

IUPACN-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCCCC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C17H30N4O3/c1-4-5-6-14(12-18)19-16(22)15(11-13(2)3)20-17(23)21-7-9-24-10-8-21/h13-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyXIPQFCXPLZSTSK-GJZGRUSLSA-N
MW338.45 g/mol
LogP1.64
Rot. Bonds8

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

N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 11823960) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID11823960
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCCCC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C17H30N4O3/c1-4-5-6-14(12-18)19-16(22)15(11-13(2)3)20-17(23)21-7-9-24-10-8-21/h13-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyXIPQFCXPLZSTSK-GJZGRUSLSA-N
XLogP1.64
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-((1S)-2-((4-cyano-1-methylpiperidin-4-yl)amino)-1-(cyclohexylmethyl)-2-oxoethyl)morpholine-4-carboxamide
CID 9887557
Morpholine-4-carboxylic acid {1-[(cyano-methyl-methyl)-carbamoyl]-3-methyl-butyl}-amide
CID 10990120
Morpholine-4-carboxylic acid [1-(cyanomethyl-carbamoyl)-3-methyl-butyl]-amide
CID 11098017
Morpholine-4-carboxylic acid {1-[(cyano-dimethyl-methyl)-carbamoyl]-3-methyl-butyl}-amide
CID 11120472
Morpholine-4-carboxylic acid [1-(1-cyano-butylcarbamoyl)-3-methyl-butyl]-amide
CID 11823521
Morpholine-4-carboxylic acid {1-[(cyano-dimethyl-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10893503
N-[(2S)-1-[[4-(ethylamino)-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 44330977
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 71450699
N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 11809509
Morpholine-4-carboxylic acid [1-(1-ethylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-amide
CID 44353509
N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 10860703
Morpholine-4-carboxylic acid (3-methyl-1-prop-2-ynylcarbamoyl-butyl)-amide
CID 10858935

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 11823960) is N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CCCC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is XIPQFCXPLZSTSK-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-4-5-6-14(12-18)19-16(22)15(11-13(2)3)20-17(23)21-7-9-24-10-8-21/h13-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(1S)-1-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 1.64, 8 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-cyanopentyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11823960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).