2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid

C16H31N3O2 — CID 79309267

IUPAC2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
SMILESCN(CCCC(C)(NC1CC1)C(=O)O)CC1CCCN1C
InChIInChI=1S/C16H31N3O2/c1-16(15(20)21,17-13-7-8-13)9-5-10-18(2)12-14-6-4-11-19(14)3/h13-14,17H,4-12H2,1-3H3,(H,20,21)
InChIKeyGAEHTVWANXBJBS-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.39
Rot. Bonds9

About 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid

2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid (PubChem CID 79309267) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
PubChem CID79309267
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
SMILESCN(CCCC(C)(NC1CC1)C(=O)O)CC1CCCN1C
InChIInChI=1S/C16H31N3O2/c1-16(15(20)21,17-13-7-8-13)9-5-10-18(2)12-14-6-4-11-19(14)3/h13-14,17H,4-12H2,1-3H3,(H,20,21)
InChIKeyGAEHTVWANXBJBS-UHFFFAOYSA-N
XLogP1.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanamide
CID 79315577
methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate
CID 79309260
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
CID 79314027
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
CID 79313620
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 63623601
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
2-(cyclopropylamino)-2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanamide
CID 63210861
2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid
CID 83045392
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
CID 63954259
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid (CID 79309267) is 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid is CN(CCCC(C)(NC1CC1)C(=O)O)CC1CCCN1C.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid?
The InChIKey is GAEHTVWANXBJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(15(20)21,17-13-7-8-13)9-5-10-18(2)12-14-6-4-11-19(14)3/h13-14,17H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid?
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid has a molecular weight of 297.44 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid is sourced from PubChem (CID 79309267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).