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

C14H24N4O3 — CID 10990120

IUPACN-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C#N
InChIInChI=1S/C14H24N4O3/c1-10(2)8-12(13(19)16-11(3)9-15)17-14(20)18-4-6-21-7-5-18/h10-12H,4-8H2,1-3H3,(H,16,19)(H,17,20)/t11-,12-/m0/s1
InChIKeyVOJYWPRFCHLKQV-RYUDHWBXSA-N
MW296.37 g/mol
LogP0.47
Rot. Bonds5

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

N-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 10990120) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID10990120
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C#N
InChIInChI=1S/C14H24N4O3/c1-10(2)8-12(13(19)16-11(3)9-15)17-14(20)18-4-6-21-7-5-18/h10-12H,4-8H2,1-3H3,(H,16,19)(H,17,20)/t11-,12-/m0/s1
InChIKeyVOJYWPRFCHLKQV-RYUDHWBXSA-N
XLogP0.47
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.47
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-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 10990120) is N-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyanoethyl]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)C#N.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is VOJYWPRFCHLKQV-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10(2)8-12(13(19)16-11(3)9-15)17-14(20)18-4-6-21-7-5-18/h10-12H,4-8H2,1-3H3,(H,16,19)(H,17,20)/t11-,12-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(1S)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 0.47, 5 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-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 10990120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).