3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid

C12H24N2O2 — CID 62861378

IUPAC3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(C)CC1CCC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-7-13-11(12(15)16)9-14(2)8-10-5-4-6-10/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyASTIMEVKJIGXKP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds8

About 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid

3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid (PubChem CID 62861378) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
PubChem CID62861378
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(C)CC1CCC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-7-13-11(12(15)16)9-14(2)8-10-5-4-6-10/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyASTIMEVKJIGXKP-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)propanoic acid
CID 63711612
3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521842
3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
CID 63236572
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
4-[cyclobutylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64787236
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
CID 63711106
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoate
CID 62861231
4-[cyclopropylmethyl(propan-2-yl)amino]-2-(propylamino)butanoic acid
CID 63053259
N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62860142
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
1-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62043365

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid (CID 62861378) is 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid is CCCNC(CN(C)CC1CCC1)C(=O)O.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid?
The InChIKey is ASTIMEVKJIGXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-7-13-11(12(15)16)9-14(2)8-10-5-4-6-10/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid?
3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid is sourced from PubChem (CID 62861378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).