2-[ethyl(2-hydroxyethyl)amino]butanoic acid

C8H17NO3 — CID 60981042

IUPAC2-[ethyl(2-hydroxyethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC)CCO
InChIInChI=1S/C8H17NO3/c1-3-7(8(11)12)9(4-2)5-6-10/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyAGZQUZAHOURBCE-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.16
Rot. Bonds6

About 2-[ethyl(2-hydroxyethyl)amino]butanoic acid

2-[ethyl(2-hydroxyethyl)amino]butanoic acid (PubChem CID 60981042) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]butanoic acid
PubChem CID60981042
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC)CCO
InChIInChI=1S/C8H17NO3/c1-3-7(8(11)12)9(4-2)5-6-10/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyAGZQUZAHOURBCE-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
2-[ethyl(phosphonomethyl)amino]butanoic acid
CID 88684693
2-[bis(sulfanylmethyl)amino]butanoic acid
CID 101497957
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
2-[bis(carboxymethyl)amino]butanoic acid
CID 22935674
2-[bis(3-methylbutyl)amino]butanoic acid
CID 107870312
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
CID 62020833
2-[cyclobutylmethyl(ethyl)amino]butanoic acid
CID 107399547
2-[bis(2-hydroxyethyl)amino]butanehydrazide
CID 63573033
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
CID 107480763

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]butanoic acid?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]butanoic acid (CID 60981042) is 2-[ethyl(2-hydroxyethyl)amino]butanoic acid.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]butanoic acid?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]butanoic acid is CCC(C(=O)O)N(CC)CCO.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]butanoic acid?
The InChIKey is AGZQUZAHOURBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-7(8(11)12)9(4-2)5-6-10/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]butanoic acid?
2-[ethyl(2-hydroxyethyl)amino]butanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]butanoic acid is sourced from PubChem (CID 60981042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).