(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid

C7H13NO5 — CID 107833755

IUPAC(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
SMILESCCOCC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H13NO5/c1-2-13-4-6(10)8-3-5(9)7(11)12/h5,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t5-/m0/s1
InChIKeyUQMPOSFHOLNHDF-YFKPBYRVSA-N
MW191.18 g/mol
LogP-1.42
Rot. Bonds6

About (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid

(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid (PubChem CID 107833755) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
PubChem CID107833755
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
SMILESCCOCC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H13NO5/c1-2-13-4-6(10)8-3-5(9)7(11)12/h5,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t5-/m0/s1
InChIKeyUQMPOSFHOLNHDF-YFKPBYRVSA-N
XLogP-1.42
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
CID 62675487
2-ethoxy-N-(2-methoxypropyl)acetamide
CID 102701044
2-ethoxy-N-(2-ethoxypropyl)acetamide
CID 115648995
(2S)-3-[[2-(ethylamino)acetyl]amino]-2-hydroxypropanoic acid
CID 107835951
methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate
CID 103492943
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid
CID 123966527
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
CID 107156886
(2S)-3-[3-(ethylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107835994
(2S)-2-hydroxy-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 107832946
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid (CID 107833755) is (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid is CCOCC(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid?
The InChIKey is UQMPOSFHOLNHDF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO5/c1-2-13-4-6(10)8-3-5(9)7(11)12/h5,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid has a molecular weight of 191.18 g/mol, XLogP of -1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107833755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).