(2S)-2-(dipropylamino)propanoic acid

C9H19NO2 — CID 14274716

IUPAC(2S)-2-(dipropylamino)propanoic acid
SMILESCCCN(CCC)[C@@H](C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyGZRZQYMPUHUFSQ-QMMMGPOBSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds6

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

(2S)-2-(dipropylamino)propanoic acid (PubChem CID 14274716) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-(dipropylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(dipropylamino)propanoic acid
PubChem CID14274716
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-2-(dipropylamino)propanoic acid
SMILESCCCN(CCC)[C@@H](C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyGZRZQYMPUHUFSQ-QMMMGPOBSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dipropylamino)propanoic acid?
The IUPAC name of (2S)-2-(dipropylamino)propanoic acid (CID 14274716) is (2S)-2-(dipropylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(dipropylamino)propanoic acid?
The canonical SMILES for (2S)-2-(dipropylamino)propanoic acid is CCCN(CCC)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(dipropylamino)propanoic acid?
The InChIKey is GZRZQYMPUHUFSQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-(dipropylamino)propanoic acid?
(2S)-2-(dipropylamino)propanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dipropylamino)propanoic acid is sourced from PubChem (CID 14274716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).