4-[2-carboxyethyl(ethyl)amino]butanoic acid

C9H17NO4 — CID 82330570

IUPAC4-[2-carboxyethyl(ethyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-10(7-5-9(13)14)6-3-4-8(11)12/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyLSVVKVBNXGPOLS-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.65
Rot. Bonds8

About 4-[2-carboxyethyl(ethyl)amino]butanoic acid

4-[2-carboxyethyl(ethyl)amino]butanoic acid (PubChem CID 82330570) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[2-carboxyethyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-carboxyethyl(ethyl)amino]butanoic acid
PubChem CID82330570
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-[2-carboxyethyl(ethyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-10(7-5-9(13)14)6-3-4-8(11)12/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyLSVVKVBNXGPOLS-UHFFFAOYSA-N
XLogP0.65
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(ethyl)amino]butanoic acid
CID 20991778
4-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
CID 82330595
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
bis(4-[bis(carboxymethyl)amino]butanoic acid);2-[2-[carboxymethyl(ethyl)amino]ethyl-ethylamino]acetic acid;ethanamine
CID 173160493
bis(2-(diethylamino)ethanol);hexanedioic acid
CID 22571154
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
4-(didodecylamino)butanoic acid
CID 101313875

Frequently Asked Questions

What is the IUPAC name of 4-[2-carboxyethyl(ethyl)amino]butanoic acid?
The IUPAC name of 4-[2-carboxyethyl(ethyl)amino]butanoic acid (CID 82330570) is 4-[2-carboxyethyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 4-[2-carboxyethyl(ethyl)amino]butanoic acid?
The canonical SMILES for 4-[2-carboxyethyl(ethyl)amino]butanoic acid is CCN(CCCC(=O)O)CCC(=O)O.
What is the InChIKey of 4-[2-carboxyethyl(ethyl)amino]butanoic acid?
The InChIKey is LSVVKVBNXGPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-10(7-5-9(13)14)6-3-4-8(11)12/h2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-[2-carboxyethyl(ethyl)amino]butanoic acid?
4-[2-carboxyethyl(ethyl)amino]butanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-carboxyethyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 82330570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).