ethyl 4-amino-2,3-dihydroxybutanoate

C6H13NO4 — CID 58181866

IUPACethyl 4-amino-2,3-dihydroxybutanoate
SMILESCCOC(=O)C(O)C(O)CN
InChIInChI=1S/C6H13NO4/c1-2-11-6(10)5(9)4(8)3-7/h4-5,8-9H,2-3,7H2,1H3
InChIKeyFQWQNFLHPHMVJE-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.77
Rot. Bonds4

About ethyl 4-amino-2,3-dihydroxybutanoate

ethyl 4-amino-2,3-dihydroxybutanoate (PubChem CID 58181866) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is ethyl 4-amino-2,3-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-amino-2,3-dihydroxybutanoate
PubChem CID58181866
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Nameethyl 4-amino-2,3-dihydroxybutanoate
SMILESCCOC(=O)C(O)C(O)CN
InChIInChI=1S/C6H13NO4/c1-2-11-6(10)5(9)4(8)3-7/h4-5,8-9H,2-3,7H2,1H3
InChIKeyFQWQNFLHPHMVJE-UHFFFAOYSA-N
XLogP-1.77
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-4-amino-2-hydroxy-butanoate hydrochloride
CID 86596723
methyl (2R)-4-amino-2-hydroxybutanoate hydrochloride
CID 141112960
(2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid
CID 55288577
(2R,3R)-4-Amino-2,3-dihydroxybutanoic acid
CID 49867527
ethyl (3R)-4-amino-3-hydroxybutanoate
CID 23630754
(2S,3R)-2-amino-3-(2-hydroxypropanoyloxy)butanoic acid
CID 53746687
2-Aminoethyl-2-ethoxy acetic acid
CID 64694431
Methyl 4-amino-3-hydroxybutanoate
CID 23138011
2,3-Dihydroxypropyl 4-aminobutanoate
CID 44268082
Methyl (S)-(-)-4-amino-2-hydroxybutanoate
CID 53901255
(2S,3R)-4-amino-2,3-dihydroxybutanoic acid
CID 82667910
Ethyl 4-amino-3-hydroxybutanoate
CID 412563

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2,3-dihydroxybutanoate?
The IUPAC name of ethyl 4-amino-2,3-dihydroxybutanoate (CID 58181866) is ethyl 4-amino-2,3-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-amino-2,3-dihydroxybutanoate?
The canonical SMILES for ethyl 4-amino-2,3-dihydroxybutanoate is CCOC(=O)C(O)C(O)CN.
What is the InChIKey of ethyl 4-amino-2,3-dihydroxybutanoate?
The InChIKey is FQWQNFLHPHMVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-2-11-6(10)5(9)4(8)3-7/h4-5,8-9H,2-3,7H2,1H3.
What are the key properties of ethyl 4-amino-2,3-dihydroxybutanoate?
ethyl 4-amino-2,3-dihydroxybutanoate has a molecular weight of 163.17 g/mol, XLogP of -1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2,3-dihydroxybutanoate is sourced from PubChem (CID 58181866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).