2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid

C16H30N2O3 — CID 64705280

IUPAC2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)N(C)CC1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-12(18(3)11-13-6-8-21-9-7-13)10-16(2,15(19)20)17-14-4-5-14/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyBSVADOGDVFAENS-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.72
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid

2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid (PubChem CID 64705280) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
PubChem CID64705280
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)N(C)CC1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-12(18(3)11-13-6-8-21-9-7-13)10-16(2,15(19)20)17-14-4-5-14/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyBSVADOGDVFAENS-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
CID 64710762
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
2-methyl-4-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentanoic acid
CID 64705224
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 63705661
ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711538

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid (CID 64705280) is 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid is CC(CC(C)(NC1CC1)C(=O)O)N(C)CC1CCOCC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
The InChIKey is BSVADOGDVFAENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(18(3)11-13-6-8-21-9-7-13)10-16(2,15(19)20)17-14-4-5-14/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 64705280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).