2-amino-4-hydroxypentanoic acid;ethane

C7H17NO3 — CID 143364485

IUPAC2-amino-4-hydroxypentanoic acid;ethane
SMILESCC.CC(O)CC(N)C(=O)O
InChIInChI=1S/C5H11NO3.C2H6/c1-3(7)2-4(6)5(8)9;1-2/h3-4,7H,2,6H2,1H3,(H,8,9);1-2H3
InChIKeySDSRNAGJTGSPBO-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.20
Rot. Bonds3

About 2-amino-4-hydroxypentanoic acid;ethane

2-amino-4-hydroxypentanoic acid;ethane (PubChem CID 143364485) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-amino-4-hydroxypentanoic acid;ethane.

Molecular Properties

Compound Name2-amino-4-hydroxypentanoic acid;ethane
PubChem CID143364485
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-amino-4-hydroxypentanoic acid;ethane
SMILESCC.CC(O)CC(N)C(=O)O
InChIInChI=1S/C5H11NO3.C2H6/c1-3(7)2-4(6)5(8)9;1-2/h3-4,7H,2,6H2,1H3,(H,8,9);1-2H3
InChIKeySDSRNAGJTGSPBO-UHFFFAOYSA-N
XLogP0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-hydroxypentanoic acid
CID 14021586
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
2-amino-4-methylpentanoic acid;chromium
CID 88640601
CID 6369563
CID 6369563
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxypentanoic acid;ethane?
The IUPAC name of 2-amino-4-hydroxypentanoic acid;ethane (CID 143364485) is 2-amino-4-hydroxypentanoic acid;ethane.
What is the SMILES notation for 2-amino-4-hydroxypentanoic acid;ethane?
The canonical SMILES for 2-amino-4-hydroxypentanoic acid;ethane is CC.CC(O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxypentanoic acid;ethane?
The InChIKey is SDSRNAGJTGSPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.C2H6/c1-3(7)2-4(6)5(8)9;1-2/h3-4,7H,2,6H2,1H3,(H,8,9);1-2H3.
What are the key properties of 2-amino-4-hydroxypentanoic acid;ethane?
2-amino-4-hydroxypentanoic acid;ethane has a molecular weight of 163.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxypentanoic acid;ethane is sourced from PubChem (CID 143364485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).