ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate

C12H24N2O3 — CID 170885030

IUPACethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate
SMILESCCOC(=O)C(N)CC(C)(C)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-4-17-11(15)10(13)9-12(2,3)14-5-7-16-8-6-14/h10H,4-9,13H2,1-3H3
InChIKeyWCKBDDIJWGJPDK-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.38
Rot. Bonds5

About ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate

ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate (PubChem CID 170885030) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate
PubChem CID170885030
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate
SMILESCCOC(=O)C(N)CC(C)(C)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-4-17-11(15)10(13)9-12(2,3)14-5-7-16-8-6-14/h10H,4-9,13H2,1-3H3
InChIKeyWCKBDDIJWGJPDK-UHFFFAOYSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
4-(2,4-dimethylpentan-2-yl)morpholine
CID 67965122
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
ethyl 3-methyl-3-morpholin-4-ylpentanoate
CID 64528777
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
CID 61250157
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
ethyl acetate;4-propylmorpholine
CID 160534633
2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
N-[(2S)-2-amino-3,3-dimethylbutyl]-2-methyl-2-morpholin-4-ylpropanamide
CID 118074883
ethyl (2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutanoate
CID 122454826

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate?
The IUPAC name of ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate (CID 170885030) is ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate?
The canonical SMILES for ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate is CCOC(=O)C(N)CC(C)(C)N1CCOCC1.
What is the InChIKey of ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate?
The InChIKey is WCKBDDIJWGJPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-17-11(15)10(13)9-12(2,3)14-5-7-16-8-6-14/h10H,4-9,13H2,1-3H3.
What are the key properties of ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate?
ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate has a molecular weight of 244.33 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate is sourced from PubChem (CID 170885030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).