N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide

C14H23N3O3 — CID 10858935

IUPACN-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide
SMILESC#CCNC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-4-5-15-13(18)12(10-11(2)3)16-14(19)17-6-8-20-9-7-17/h1,11-12H,5-10H2,2-3H3,(H,15,18)(H,16,19)/t12-/m0/s1
InChIKeyOWZWRSSDELHGHR-LBPRGKRZSA-N
MW281.36 g/mol
LogP0.19
Rot. Bonds5

About N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide

N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide (PubChem CID 10858935) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide
PubChem CID10858935
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide
SMILESC#CCNC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-4-5-15-13(18)12(10-11(2)3)16-14(19)17-6-8-20-9-7-17/h1,11-12H,5-10H2,2-3H3,(H,15,18)(H,16,19)/t12-/m0/s1
InChIKeyOWZWRSSDELHGHR-LBPRGKRZSA-N
XLogP0.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide (CID 10858935) is N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide is C#CCNC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide?
The InChIKey is OWZWRSSDELHGHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-5-15-13(18)12(10-11(2)3)16-14(19)17-6-8-20-9-7-17/h1,11-12H,5-10H2,2-3H3,(H,15,18)(H,16,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 10858935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).