4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid

C12H24N2O2 — CID 63027237

IUPAC4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
SMILESCCC(C)N(C)CCC(NC1CC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-4-9(2)14(3)8-7-11(12(15)16)13-10-5-6-10/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyKHUAUFSUJQVQDJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds8

About 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid

4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid (PubChem CID 63027237) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid.

Molecular Properties

Compound Name4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
PubChem CID63027237
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
SMILESCCC(C)N(C)CCC(NC1CC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-4-9(2)14(3)8-7-11(12(15)16)13-10-5-6-10/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyKHUAUFSUJQVQDJ-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
CID 63028053
2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid
CID 63053617
2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63053045
ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63028837
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827
2-(cyclopentylamino)butanoic acid
CID 60998249
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175
2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid
CID 55145096
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81062213
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid?
The IUPAC name of 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid (CID 63027237) is 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid.
What is the SMILES notation for 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid?
The canonical SMILES for 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid is CCC(C)N(C)CCC(NC1CC1)C(=O)O.
What is the InChIKey of 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid?
The InChIKey is KHUAUFSUJQVQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-9(2)14(3)8-7-11(12(15)16)13-10-5-6-10/h9-11,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid?
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid is sourced from PubChem (CID 63027237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).