(2S)-2-amino-3-ethoxybutanoic acid

C6H13NO3 — CID 22301551

IUPAC(2S)-2-amino-3-ethoxybutanoic acid
SMILESCCOC(C)[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-10-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4?,5-/m0/s1
InChIKeyLULHTUNPBBMNSJ-AKGZTFGVSA-N
MW147.17 g/mol
LogP-0.18
Rot. Bonds4

About (2S)-2-amino-3-ethoxybutanoic acid

(2S)-2-amino-3-ethoxybutanoic acid (PubChem CID 22301551) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S)-2-amino-3-ethoxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-ethoxybutanoic acid
PubChem CID22301551
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S)-2-amino-3-ethoxybutanoic acid
SMILESCCOC(C)[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-10-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4?,5-/m0/s1
InChIKeyLULHTUNPBBMNSJ-AKGZTFGVSA-N
XLogP-0.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-ethoxybutanoate
CID 163483403
(2S,3R)-2-amino-3-hydroperoxybutanoic acid
CID 87435001
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-(2-propylpentanoyloxy)butanoic acid;hydrochloride
CID 141148874
(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid
CID 54372856
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-ethoxybutanoic acid?
The IUPAC name of (2S)-2-amino-3-ethoxybutanoic acid (CID 22301551) is (2S)-2-amino-3-ethoxybutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-ethoxybutanoic acid?
The canonical SMILES for (2S)-2-amino-3-ethoxybutanoic acid is CCOC(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-ethoxybutanoic acid?
The InChIKey is LULHTUNPBBMNSJ-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-10-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4?,5-/m0/s1.
What are the key properties of (2S)-2-amino-3-ethoxybutanoic acid?
(2S)-2-amino-3-ethoxybutanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-ethoxybutanoic acid is sourced from PubChem (CID 22301551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).