(2S)-2-[propan-2-yl(propyl)amino]propanoic acid

C9H19NO2 — CID 151330879

IUPAC(2S)-2-[propan-2-yl(propyl)amino]propanoic acid
SMILESCCCN(C(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-6-10(7(2)3)8(4)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)/t8-/m0/s1
InChIKeyOIKXOFFFSVWEJK-QMMMGPOBSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds5

About (2S)-2-[propan-2-yl(propyl)amino]propanoic acid

(2S)-2-[propan-2-yl(propyl)amino]propanoic acid (PubChem CID 151330879) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-[propan-2-yl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[propan-2-yl(propyl)amino]propanoic acid
PubChem CID151330879
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-2-[propan-2-yl(propyl)amino]propanoic acid
SMILESCCCN(C(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-6-10(7(2)3)8(4)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)/t8-/m0/s1
InChIKeyOIKXOFFFSVWEJK-QMMMGPOBSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-[propan-2-yl(propyl)amino]propanoic acid
CID 64695014
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795408
(2R)-2-[[(2S)-2-methyl-3-sulfanylpropanoyl]-propylamino]propanoic acid
CID 18609315
(2S)-2-(diethylamino)propanoic acid
CID 18664197
(2S)-2-(didecylamino)propanoic acid
CID 54553800
2-[di(undecyl)amino]propanoic acid
CID 101313686
(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
CID 125045091
2-[2-carboxyethyl(docosan-10-yl)amino]propanoic acid
CID 87723420
2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid
CID 82328618

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[propan-2-yl(propyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[propan-2-yl(propyl)amino]propanoic acid (CID 151330879) is (2S)-2-[propan-2-yl(propyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[propan-2-yl(propyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[propan-2-yl(propyl)amino]propanoic acid is CCCN(C(C)C)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[propan-2-yl(propyl)amino]propanoic acid?
The InChIKey is OIKXOFFFSVWEJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-10(7(2)3)8(4)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-[propan-2-yl(propyl)amino]propanoic acid?
(2S)-2-[propan-2-yl(propyl)amino]propanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[propan-2-yl(propyl)amino]propanoic acid is sourced from PubChem (CID 151330879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).