(2S)-2-(diethylamino)propanoic acid

C7H15NO2 — CID 18664197

IUPAC(2S)-2-(diethylamino)propanoic acid
SMILESCCN(CC)[C@@H](C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-4-8(5-2)6(3)7(9)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyYHZCTZGJKHNVQY-LURJTMIESA-N
MW145.20 g/mol
LogP0.80
Rot. Bonds4

About (2S)-2-(diethylamino)propanoic acid

(2S)-2-(diethylamino)propanoic acid (PubChem CID 18664197) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-(diethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(diethylamino)propanoic acid
PubChem CID18664197
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-(diethylamino)propanoic acid
SMILESCCN(CC)[C@@H](C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-4-8(5-2)6(3)7(9)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyYHZCTZGJKHNVQY-LURJTMIESA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
CID 102994663
3-(diethylamino)-2-methylidenebutanoic acid
CID 87069221
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid
CID 79661326
(2S)-2-(diethylamino)propanethioic S-acid
CID 129068089
2-(diethylamino)propanoyl fluoride;hydrofluoride
CID 88650459
2-[chloro(ethyl)amino]propanoic acid
CID 21446192
2-[di(undecyl)amino]propanoic acid
CID 101313686
(2S)-2-(didecylamino)propanoic acid
CID 54553800
(2R)-2-(diethylamino)-4-methylhexan-3-one
CID 130410399
2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)propanoic acid?
The IUPAC name of (2S)-2-(diethylamino)propanoic acid (CID 18664197) is (2S)-2-(diethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(diethylamino)propanoic acid?
The canonical SMILES for (2S)-2-(diethylamino)propanoic acid is CCN(CC)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(diethylamino)propanoic acid?
The InChIKey is YHZCTZGJKHNVQY-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-8(5-2)6(3)7(9)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-(diethylamino)propanoic acid?
(2S)-2-(diethylamino)propanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)propanoic acid is sourced from PubChem (CID 18664197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).