2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid

C13H26N2O2 — CID 63028053

IUPAC2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
SMILESCCCN(CCC(NC1CC1)C(=O)O)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-8-15(10(2)3)9-7-12(13(16)17)14-11-5-6-11/h10-12,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyOPWMVOCYRJYTOY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds9

About 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid

2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid (PubChem CID 63028053) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
PubChem CID63028053
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
SMILESCCCN(CCC(NC1CC1)C(=O)O)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-8-15(10(2)3)9-7-12(13(16)17)14-11-5-6-11/h10-12,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyOPWMVOCYRJYTOY-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid
CID 63053617
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
CID 63027237
2-(cyclopropylamino)heptanoic acid
CID 43754511
4-[cyclopropylmethyl(propan-2-yl)amino]-2-(propylamino)butanoic acid
CID 63053259
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827
(2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid
CID 146614142
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175
2-(cyclohexylamino)heptanoic acid
CID 60998800
4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid
CID 64501348
2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
CID 103284916

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid (CID 63028053) is 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid is CCCN(CCC(NC1CC1)C(=O)O)C(C)C.
What is the InChIKey of 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid?
The InChIKey is OPWMVOCYRJYTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-8-15(10(2)3)9-7-12(13(16)17)14-11-5-6-11/h10-12,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid?
2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid is sourced from PubChem (CID 63028053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).