ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate

C9H18N2O3 — CID 70159679

IUPACethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)[C@@H](N)CN1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-2-14-9(12)8(10)7-11-3-5-13-6-4-11/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeySOJFQDVQRMVAAU-QMMMGPOBSA-N
MW202.25 g/mol
LogP-0.79
Rot. Bonds4

About ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate

ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate (PubChem CID 70159679) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
PubChem CID70159679
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)[C@@H](N)CN1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-2-14-9(12)8(10)7-11-3-5-13-6-4-11/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeySOJFQDVQRMVAAU-QMMMGPOBSA-N
XLogP-0.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62930265
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate
CID 170885030
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
ethyl 2-amino-3-(4-methylazepan-1-yl)propanoate
CID 63623582
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
ethyl acetate;4-propylmorpholine
CID 160534633
2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 103813602
(2S)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 107568380
methyl 2-(morpholin-4-ylmethyl)butanoate
CID 117242059

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate?
The IUPAC name of ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate (CID 70159679) is ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate is CCOC(=O)[C@@H](N)CN1CCOCC1.
What is the InChIKey of ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate?
The InChIKey is SOJFQDVQRMVAAU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-14-9(12)8(10)7-11-3-5-13-6-4-11/h8H,2-7,10H2,1H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate?
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate has a molecular weight of 202.25 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 70159679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).