2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid

C14H27N3O2 — CID 79314867

IUPAC2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
SMILESCNC(CN(C)CC1CCCN1C)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-15-14(13(18)19,11-6-7-11)10-16(2)9-12-5-4-8-17(12)3/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyIHJVLOLXELQJGD-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.47
Rot. Bonds7

About 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid

2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid (PubChem CID 79314867) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
PubChem CID79314867
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
SMILESCNC(CN(C)CC1CCCN1C)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-15-14(13(18)19,11-6-7-11)10-16(2)9-12-5-4-8-17(12)3/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyIHJVLOLXELQJGD-UHFFFAOYSA-N
XLogP0.47
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79309047
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 63910926
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
CID 63907041
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
CID 79631821
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
2-methyl-2-(methylamino)-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanamide
CID 79315577
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63910337
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
CID 79309267
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79317268
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid (CID 79314867) is 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid is CNC(CN(C)CC1CCCN1C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid?
The InChIKey is IHJVLOLXELQJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-15-14(13(18)19,11-6-7-11)10-16(2)9-12-5-4-8-17(12)3/h11-12,15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid?
2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 79314867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).