N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

C15H26N4O3 — CID 11120472

IUPACN-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NC(C)(C)C#N
InChIInChI=1S/C15H26N4O3/c1-11(2)9-12(13(20)18-15(3,4)10-16)17-14(21)19-5-7-22-8-6-19/h11-12H,5-9H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1
InChIKeyAMODCLLFUCTCGK-LBPRGKRZSA-N
MW310.40 g/mol
LogP0.86
Rot. Bonds5

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

N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 11120472) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID11120472
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NC(C)(C)C#N
InChIInChI=1S/C15H26N4O3/c1-11(2)9-12(13(20)18-15(3,4)10-16)17-14(21)19-5-7-22-8-6-19/h11-12H,5-9H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1
InChIKeyAMODCLLFUCTCGK-LBPRGKRZSA-N
XLogP0.86
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 11120472) is N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NC(C)(C)C#N.
What is the InChIKey of N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is AMODCLLFUCTCGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11(2)9-12(13(20)18-15(3,4)10-16)17-14(21)19-5-7-22-8-6-19/h11-12H,5-9H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-cyanopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11120472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).