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

C14H28N2O2 — CID 107401070

IUPAC4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
SMILESCCN(CC1CCC1)C(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-5-16(10-12-7-6-8-12)11(2)9-14(3,15-4)13(17)18/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyCYYXCQDNAPQKBC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.95
Rot. Bonds8

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

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 107401070) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
PubChem CID107401070
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
SMILESCCN(CC1CCC1)C(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-5-16(10-12-7-6-8-12)11(2)9-14(3,15-4)13(17)18/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyCYYXCQDNAPQKBC-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 107402528
2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 106204603
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64705483
3-[cyclopentylmethyl(ethyl)amino]butanoic acid
CID 62825666
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
2-[cyclobutylmethyl(ethyl)amino]butanoic acid
CID 107399547
2-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402367
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid (CID 107401070) is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid is CCN(CC1CCC1)C(C)CC(C)(NC)C(=O)O.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is CYYXCQDNAPQKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-16(10-12-7-6-8-12)11(2)9-14(3,15-4)13(17)18/h11-12,15H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid?
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 107401070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).