2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid

C14H29N3O2 — CID 63236743

IUPAC2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
SMILESCCNC(C)(CN(C)CC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-5-15-14(2,13(18)19)11-17(4)10-12-6-8-16(3)9-7-12/h12,15H,5-11H2,1-4H3,(H,18,19)
InChIKeyKWQGOTSJBOEGEZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.71
Rot. Bonds7

About 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid

2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid (PubChem CID 63236743) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
PubChem CID63236743
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
SMILESCCNC(C)(CN(C)CC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-5-15-14(2,13(18)19)11-17(4)10-12-6-8-16(3)9-7-12/h12,15H,5-11H2,1-4H3,(H,18,19)
InChIKeyKWQGOTSJBOEGEZ-UHFFFAOYSA-N
XLogP0.71
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236573
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanoic acid
CID 55171442
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64791463
2-(ethylamino)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234481
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63236517
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol
CID 114495626
2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
CID 55174419
ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate
CID 63236833
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
CID 63916273
2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid (CID 63236743) is 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid is CCNC(C)(CN(C)CC1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid?
The InChIKey is KWQGOTSJBOEGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-15-14(2,13(18)19)11-17(4)10-12-6-8-16(3)9-7-12/h12,15H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid?
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid has a molecular weight of 271.40 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 63236743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).