3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid

C12H26N2O2 — CID 79623860

IUPAC3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
SMILESCCN(CC)CC(C)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-6-14(7-2)8-10(3)13-9-12(4,5)11(15)16/h10,13H,6-9H2,1-5H3,(H,15,16)
InChIKeyMQUKAAUWBBGHKQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.42
Rot. Bonds8

About 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid

3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid (PubChem CID 79623860) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
PubChem CID79623860
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
SMILESCCN(CC)CC(C)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-6-14(7-2)8-10(3)13-9-12(4,5)11(15)16/h10,13H,6-9H2,1-5H3,(H,15,16)
InChIKeyMQUKAAUWBBGHKQ-UHFFFAOYSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid (CID 79623860) is 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid is CCN(CC)CC(C)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid?
The InChIKey is MQUKAAUWBBGHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-14(7-2)8-10(3)13-9-12(4,5)11(15)16/h10,13H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid?
3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79623860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).