N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide

C14H29N3O2 — CID 118074883

IUPACN-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide
SMILESCC(C)(C)[C@H](N)CNC(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-13(2,3)11(15)10-16-12(18)14(4,5)17-6-8-19-9-7-17/h11H,6-10,15H2,1-5H3,(H,16,18)/t11-/m1/s1
InChIKeyUXEBZOIEPTYHNQ-LLVKDONJSA-N
MW271.40 g/mol
LogP0.59
Rot. Bonds4

About N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide

N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide (PubChem CID 118074883) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide
PubChem CID118074883
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide
SMILESCC(C)(C)[C@H](N)CNC(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-13(2,3)11(15)10-16-12(18)14(4,5)17-6-8-19-9-7-17/h11H,6-10,15H2,1-5H3,(H,16,18)/t11-/m1/s1
InChIKeyUXEBZOIEPTYHNQ-LLVKDONJSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-2-morpholin-4-ylpropanamide
CID 59526666
N-hydroxy-2-methyl-2-morpholin-4-ylpropanamide
CID 127000284
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
CID 61250157
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate
CID 170885030
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
CID 61248281

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide (CID 118074883) is N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide is CC(C)(C)[C@H](N)CNC(=O)C(C)(C)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide?
The InChIKey is UXEBZOIEPTYHNQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2,3)11(15)10-16-12(18)14(4,5)17-6-8-19-9-7-17/h11H,6-10,15H2,1-5H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide?
N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide has a molecular weight of 271.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 118074883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).