4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid

C14H29N3O2 — CID 55144677

IUPAC4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
SMILESCCCNC(CCN(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-4-8-15-13(14(18)19)7-11-17(3)12-5-9-16(2)10-6-12/h12-13,15H,4-11H2,1-3H3,(H,18,19)
InChIKeyTUTDVPKNDLNXEZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.86
Rot. Bonds8

About 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid

4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid (PubChem CID 55144677) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
PubChem CID55144677
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
SMILESCCCNC(CCN(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-4-8-15-13(14(18)19)7-11-17(3)12-5-9-16(2)10-6-12/h12-13,15H,4-11H2,1-3H3,(H,18,19)
InChIKeyTUTDVPKNDLNXEZ-UHFFFAOYSA-N
XLogP0.86
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278
methyl 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-(propylamino)butanoate
CID 63053941
methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate
CID 63054708
(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 165445053
2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid
CID 83038523
4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid
CID 82743312
4-[cyclopropylmethyl(propan-2-yl)amino]-2-(propylamino)butanoic acid
CID 63053259
4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
CID 81074467
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propylamino)butanoic acid
CID 66369794
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
CID 63236572
4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
CID 64787609
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 63054217

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid?
The IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid (CID 55144677) is 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid?
The canonical SMILES for 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid is CCCNC(CCN(C)C1CCN(C)CC1)C(=O)O.
What is the InChIKey of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid?
The InChIKey is TUTDVPKNDLNXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-8-15-13(14(18)19)7-11-17(3)12-5-9-16(2)10-6-12/h12-13,15H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid?
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid has a molecular weight of 271.40 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid is sourced from PubChem (CID 55144677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).