ethyl (3S)-4-amino-3-hydroxybutanoate

C6H13NO3 — CID 15458189

IUPACethyl (3S)-4-amino-3-hydroxybutanoate
SMILESCCOC(=O)C[C@H](O)CN
InChIInChI=1S/C6H13NO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4,7H2,1H3/t5-/m0/s1
InChIKeyHPMBWEVQPZMKJM-YFKPBYRVSA-N
MW147.17 g/mol
LogP-0.74
Rot. Bonds4

About ethyl (3S)-4-amino-3-hydroxybutanoate

ethyl (3S)-4-amino-3-hydroxybutanoate (PubChem CID 15458189) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethyl (3S)-4-amino-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl (3S)-4-amino-3-hydroxybutanoate
PubChem CID15458189
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethyl (3S)-4-amino-3-hydroxybutanoate
SMILESCCOC(=O)C[C@H](O)CN
InChIInChI=1S/C6H13NO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4,7H2,1H3/t5-/m0/s1
InChIKeyHPMBWEVQPZMKJM-YFKPBYRVSA-N
XLogP-0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-4-amino-3-hydroxybutanoate?
The IUPAC name of ethyl (3S)-4-amino-3-hydroxybutanoate (CID 15458189) is ethyl (3S)-4-amino-3-hydroxybutanoate.
What is the SMILES notation for ethyl (3S)-4-amino-3-hydroxybutanoate?
The canonical SMILES for ethyl (3S)-4-amino-3-hydroxybutanoate is CCOC(=O)C[C@H](O)CN.
What is the InChIKey of ethyl (3S)-4-amino-3-hydroxybutanoate?
The InChIKey is HPMBWEVQPZMKJM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4,7H2,1H3/t5-/m0/s1.
What are the key properties of ethyl (3S)-4-amino-3-hydroxybutanoate?
ethyl (3S)-4-amino-3-hydroxybutanoate has a molecular weight of 147.17 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-4-amino-3-hydroxybutanoate is sourced from PubChem (CID 15458189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).