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

C14H28N2O2 — CID 63053617

IUPAC2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)CN(CCC(NC1CC1)C(=O)O)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)9-16(11(3)4)8-7-13(14(17)18)15-12-5-6-12/h10-13,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyKABDDRSQEGHJLB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.95
Rot. Bonds9

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

2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid (PubChem CID 63053617) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid
PubChem CID63053617
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)CN(CCC(NC1CC1)C(=O)O)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)9-16(11(3)4)8-7-13(14(17)18)15-12-5-6-12/h10-13,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyKABDDRSQEGHJLB-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
CID 63028053
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
CID 63027237
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 55143527
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175
2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid
CID 55145096
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827
2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
N-(cyclopropylcarbamoyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 36962774
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81062213

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid (CID 63053617) is 2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid is CC(C)CN(CCC(NC1CC1)C(=O)O)C(C)C.
What is the InChIKey of 2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
The InChIKey is KABDDRSQEGHJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)9-16(11(3)4)8-7-13(14(17)18)15-12-5-6-12/h10-13,15H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 63053617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).