3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid

C14H31N3O2 — CID 102996597

IUPAC3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid
SMILESCCN(CCCN(C)C)CC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C14H31N3O2/c1-7-17(10-8-9-16(5)6)11-14(4,13(18)19)15-12(2)3/h12,15H,7-11H2,1-6H3,(H,18,19)
InChIKeyUCNMYSLJUNQSEV-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.10
Rot. Bonds10

About 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid

3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid (PubChem CID 102996597) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid
PubChem CID102996597
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid
SMILESCCN(CCCN(C)C)CC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C14H31N3O2/c1-7-17(10-8-9-16(5)6)11-14(4,13(18)19)15-12(2)3/h12,15H,7-11H2,1-6H3,(H,18,19)
InChIKeyUCNMYSLJUNQSEV-UHFFFAOYSA-N
XLogP1.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 63698579
ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate
CID 102996567
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 102996545
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 63964909
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63211201
methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate
CID 102996569
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropan-1-ol
CID 102998380
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 81074022

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid (CID 102996597) is 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid is CCN(CCCN(C)C)CC(C)(NC(C)C)C(=O)O.
What is the InChIKey of 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid?
The InChIKey is UCNMYSLJUNQSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-7-17(10-8-9-16(5)6)11-14(4,13(18)19)15-12(2)3/h12,15H,7-11H2,1-6H3,(H,18,19).
What are the key properties of 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid?
3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid has a molecular weight of 273.42 g/mol, XLogP of 1.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 102996597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).