2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide

C16H28N4O3 — CID 128966455

IUPAC2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide
SMILESCN(CC(N)=O)CC1CN(C(=O)NCCC2=CCCC2)CCO1
InChIInChI=1S/C16H28N4O3/c1-19(12-15(17)21)10-14-11-20(8-9-23-14)16(22)18-7-6-13-4-2-3-5-13/h4,14H,2-3,5-12H2,1H3,(H2,17,21)(H,18,22)
InChIKeyUAQCKXJOFBPCQI-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.31
Rot. Bonds7

About 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide

2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide (PubChem CID 128966455) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide
PubChem CID128966455
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide
SMILESCN(CC(N)=O)CC1CN(C(=O)NCCC2=CCCC2)CCO1
InChIInChI=1S/C16H28N4O3/c1-19(12-15(17)21)10-14-11-20(8-9-23-14)16(22)18-7-6-13-4-2-3-5-13/h4,14H,2-3,5-12H2,1H3,(H2,17,21)(H,18,22)
InChIKeyUAQCKXJOFBPCQI-UHFFFAOYSA-N
XLogP0.31
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
CID 128968365
2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129477993
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-(2-methyl-4-pyridinyl)morpholine-4-carboxamide
CID 167933180
2-[methyl-[[(2R)-4-(5-methylthiophene-2-carbonyl)morpholin-2-yl]methyl]amino]acetamide
CID 129478517
2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
2-[[4-[2-(dimethylamino)butanoyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 128975039
2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124875437
2-[[(2R)-4-(3-ethylpyridine-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129340878
2-[methyl-[[(2R)-4-[(2S,5R)-5-methyloxolane-2-carbonyl]morpholin-2-yl]methyl]amino]acetamide
CID 129333738
2-[methyl-[[(2R)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340141
2-[methyl-[[(2S)-4-[(2S)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340143
2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122012720

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide (CID 128966455) is 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide is CN(CC(N)=O)CC1CN(C(=O)NCCC2=CCCC2)CCO1.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is UAQCKXJOFBPCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-19(12-15(17)21)10-14-11-20(8-9-23-14)16(22)18-7-6-13-4-2-3-5-13/h4,14H,2-3,5-12H2,1H3,(H2,17,21)(H,18,22).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide?
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 128966455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).