(2S,4R)-2-amino-4-ethoxypentanoic acid

C7H15NO3 — CID 87418096

IUPAC(2S,4R)-2-amino-4-ethoxypentanoic acid
SMILESCCO[C@H](C)C[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-11-5(2)4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyQPSYJCMFKNWIAT-RITPCOANSA-N
MW161.20 g/mol
LogP0.21
Rot. Bonds5

About (2S,4R)-2-amino-4-ethoxypentanoic acid

(2S,4R)-2-amino-4-ethoxypentanoic acid (PubChem CID 87418096) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-ethoxypentanoic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-ethoxypentanoic acid
PubChem CID87418096
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S,4R)-2-amino-4-ethoxypentanoic acid
SMILESCCO[C@H](C)C[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-11-5(2)4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyQPSYJCMFKNWIAT-RITPCOANSA-N
XLogP0.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-propoxypentanoic acid
CID 89091737
2-amino-4-methoxypentanoic acid
CID 21255646
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-hydroxypentanoic acid
CID 14021586
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
(2S)-2-amino-4-fluoro-5-methylhexanoic acid
CID 45082488
(2S)-2-amino-3-ethoxybutanoic acid
CID 22301551
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-ethoxypentanoic acid?
The IUPAC name of (2S,4R)-2-amino-4-ethoxypentanoic acid (CID 87418096) is (2S,4R)-2-amino-4-ethoxypentanoic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-ethoxypentanoic acid?
The canonical SMILES for (2S,4R)-2-amino-4-ethoxypentanoic acid is CCO[C@H](C)C[C@H](N)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-ethoxypentanoic acid?
The InChIKey is QPSYJCMFKNWIAT-RITPCOANSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-11-5(2)4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-ethoxypentanoic acid?
(2S,4R)-2-amino-4-ethoxypentanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-ethoxypentanoic acid is sourced from PubChem (CID 87418096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).