2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid

C14H29N3O2 — CID 63211201

IUPAC2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(C)(CN(C)CCN1CCCC1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-12(2)15-14(3,13(18)19)11-16(4)9-10-17-7-5-6-8-17/h12,15H,5-11H2,1-4H3,(H,18,19)
InChIKeyXMYBACIFDPZUIX-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.86
Rot. Bonds8

About 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid

2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid (PubChem CID 63211201) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
PubChem CID63211201
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(C)(CN(C)CCN1CCCC1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-12(2)15-14(3,13(18)19)11-16(4)9-10-17-7-5-6-8-17/h12,15H,5-11H2,1-4H3,(H,18,19)
InChIKeyXMYBACIFDPZUIX-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

1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 66453884
2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 114448987
2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79800918
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63211108
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 63207711
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997
(2R)-N-(2-methylbutan-2-yl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 97087184
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
CID 64725762
3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 102996597
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid (CID 63211201) is 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid is CC(C)NC(C)(CN(C)CCN1CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid?
The InChIKey is XMYBACIFDPZUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(2)15-14(3,13(18)19)11-16(4)9-10-17-7-5-6-8-17/h12,15H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid?
2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic 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 2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 63211201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).