2-(1-hydroxyethylamino)butanoic acid

C6H13NO3 — CID 141327020

IUPAC2-(1-hydroxyethylamino)butanoic acid
SMILESCCC(NC(C)O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-5(6(9)10)7-4(2)8/h4-5,7-8H,3H2,1-2H3,(H,9,10)
InChIKeyKISIYCXCEYIBKE-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.22
Rot. Bonds4

About 2-(1-hydroxyethylamino)butanoic acid

2-(1-hydroxyethylamino)butanoic acid (PubChem CID 141327020) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(1-hydroxyethylamino)butanoic acid.

Molecular Properties

Compound Name2-(1-hydroxyethylamino)butanoic acid
PubChem CID141327020
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(1-hydroxyethylamino)butanoic acid
SMILESCCC(NC(C)O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-5(6(9)10)7-4(2)8/h4-5,7-8H,3H2,1-2H3,(H,9,10)
InChIKeyKISIYCXCEYIBKE-UHFFFAOYSA-N
XLogP-0.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(1-hydroxy-2-methylpropyl)amino]butanoic acid
CID 88507731
(2R)-2-(chloroamino)butanoic acid
CID 101181560
2-(1-cyclopentylethylamino)butanoic acid
CID 64667783
2-[[(1S)-1-cycloheptylethyl]amino]butanoic acid
CID 81392114
2-[[(1R)-1-cycloheptylethyl]amino]butanoic acid
CID 81392766
2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid
CID 115352711
2-(iodoamino)butanoic acid
CID 23443212
ethane;2-(methylamino)butanoic acid
CID 91558033
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
2,3-dihydroxybutanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 173051476
2-(butan-2-ylamino)-3-hydroxypropanoic acid
CID 79689063
2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
CID 113292394

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethylamino)butanoic acid?
The IUPAC name of 2-(1-hydroxyethylamino)butanoic acid (CID 141327020) is 2-(1-hydroxyethylamino)butanoic acid.
What is the SMILES notation for 2-(1-hydroxyethylamino)butanoic acid?
The canonical SMILES for 2-(1-hydroxyethylamino)butanoic acid is CCC(NC(C)O)C(=O)O.
What is the InChIKey of 2-(1-hydroxyethylamino)butanoic acid?
The InChIKey is KISIYCXCEYIBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-5(6(9)10)7-4(2)8/h4-5,7-8H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-(1-hydroxyethylamino)butanoic acid?
2-(1-hydroxyethylamino)butanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethylamino)butanoic acid is sourced from PubChem (CID 141327020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).