2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid

C13H27N3O2 — CID 79315867

IUPAC2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
SMILESCCNC(CCN(C)CC1CCCN1C)C(=O)O
InChIInChI=1S/C13H27N3O2/c1-4-14-12(13(17)18)7-9-15(2)10-11-6-5-8-16(11)3/h11-12,14H,4-10H2,1-3H3,(H,17,18)
InChIKeyIHUJZTIPJDVDOD-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.47
Rot. Bonds8

About 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid

2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid (PubChem CID 79315867) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
PubChem CID79315867
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
SMILESCCNC(CCN(C)CC1CCCN1C)C(=O)O
InChIInChI=1S/C13H27N3O2/c1-4-14-12(13(17)18)7-9-15(2)10-11-6-5-8-16(11)3/h11-12,14H,4-10H2,1-3H3,(H,17,18)
InChIKeyIHUJZTIPJDVDOD-UHFFFAOYSA-N
XLogP0.47
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 107567233
2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid
CID 106020216
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 79311373
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
CID 79314027
ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79314533
5-amino-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 79311374
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 79314716
2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid
CID 83983014
methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
CID 79313620
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid?
The IUPAC name of 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid (CID 79315867) is 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid?
The canonical SMILES for 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid is CCNC(CCN(C)CC1CCCN1C)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid?
The InChIKey is IHUJZTIPJDVDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-14-12(13(17)18)7-9-15(2)10-11-6-5-8-16(11)3/h11-12,14H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid?
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid has a molecular weight of 257.38 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 79315867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).