4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid

C12H24N2O2 — CID 64725859

IUPAC4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
SMILESCCN(C(C)CC(C)(NC)C(=O)O)C1CC1
InChIInChI=1S/C12H24N2O2/c1-5-14(10-6-7-10)9(2)8-12(3,13-4)11(15)16/h9-10,13H,5-8H2,1-4H3,(H,15,16)
InChIKeyNAFPHQKQNYPSHX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds7

About 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid

4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64725859) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64725859
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
SMILESCCN(C(C)CC(C)(NC)C(=O)O)C1CC1
InChIInChI=1S/C12H24N2O2/c1-5-14(10-6-7-10)9(2)8-12(3,13-4)11(15)16/h9-10,13H,5-8H2,1-4H3,(H,15,16)
InChIKeyNAFPHQKQNYPSHX-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240
methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728349
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693
4-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 64709685
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 83221517

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid (CID 64725859) is 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid is CCN(C(C)CC(C)(NC)C(=O)O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is NAFPHQKQNYPSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14(10-6-7-10)9(2)8-12(3,13-4)11(15)16/h9-10,13H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid?
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64725859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).