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

C15H30N2O2 — CID 55145482

IUPAC4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
SMILESCCCCN(CCC(NC1CC1)C(=O)O)C(C)CC
InChIInChI=1S/C15H30N2O2/c1-4-6-10-17(12(3)5-2)11-9-14(15(18)19)16-13-7-8-13/h12-14,16H,4-11H2,1-3H3,(H,18,19)
InChIKeyPVLCYPLMIWLMPW-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.48
Rot. Bonds11

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

4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid (PubChem CID 55145482) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid.

Molecular Properties

Compound Name4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
PubChem CID55145482
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
SMILESCCCCN(CCC(NC1CC1)C(=O)O)C(C)CC
InChIInChI=1S/C15H30N2O2/c1-4-6-10-17(12(3)5-2)11-9-14(15(18)19)16-13-7-8-13/h12-14,16H,4-11H2,1-3H3,(H,18,19)
InChIKeyPVLCYPLMIWLMPW-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
CID 63028053
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
CID 63027237
4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid
CID 63053617
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953
2-(cyclohexylamino)heptanoic acid
CID 60998800
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
CID 55144725
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid?
The IUPAC name of 4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid (CID 55145482) is 4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid.
What is the SMILES notation for 4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid?
The canonical SMILES for 4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid is CCCCN(CCC(NC1CC1)C(=O)O)C(C)CC.
What is the InChIKey of 4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid?
The InChIKey is PVLCYPLMIWLMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-6-10-17(12(3)5-2)11-9-14(15(18)19)16-13-7-8-13/h12-14,16H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid?
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.48, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid is sourced from PubChem (CID 55145482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).