2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid

C15H28N2O2 — CID 63954259

IUPAC2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
SMILESCCN(CCCC(C)(NC1CC1)C(=O)O)CC1CC1
InChIInChI=1S/C15H28N2O2/c1-3-17(11-12-5-6-12)10-4-9-15(2,14(18)19)16-13-7-8-13/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyVAOKCYUQXOUBGW-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds10

About 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid

2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid (PubChem CID 63954259) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
PubChem CID63954259
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
SMILESCCN(CCCC(C)(NC1CC1)C(=O)O)CC1CC1
InChIInChI=1S/C15H28N2O2/c1-3-17(11-12-5-6-12)10-4-9-15(2,14(18)19)16-13-7-8-13/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyVAOKCYUQXOUBGW-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63955670
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid
CID 64521035
2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid
CID 63691583
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate
CID 63956092
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64789438
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid (CID 63954259) is 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid is CCN(CCCC(C)(NC1CC1)C(=O)O)CC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid?
The InChIKey is VAOKCYUQXOUBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-17(11-12-5-6-12)10-4-9-15(2,14(18)19)16-13-7-8-13/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid?
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid has a molecular weight of 268.40 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 63954259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).