2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid

C8H18N2O2 — CID 58933403

IUPAC2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid
SMILESCC(C)NCC(C(=O)O)N(C)C
InChIInChI=1S/C8H18N2O2/c1-6(2)9-5-7(8(11)12)10(3)4/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyQBCHKCIKFRDXSA-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.00
Rot. Bonds5

About 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid

2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid (PubChem CID 58933403) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid
PubChem CID58933403
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid
SMILESCC(C)NCC(C(=O)O)N(C)C
InChIInChI=1S/C8H18N2O2/c1-6(2)9-5-7(8(11)12)10(3)4/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyQBCHKCIKFRDXSA-UHFFFAOYSA-N
XLogP-0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid (CID 58933403) is 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid is CC(C)NCC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid?
The InChIKey is QBCHKCIKFRDXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)9-5-7(8(11)12)10(3)4/h6-7,9H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid?
2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid has a molecular weight of 174.24 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 58933403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).