4-[3-aminopropyl(propan-2-yl)amino]butanoic acid

C10H22N2O2 — CID 63654781

IUPAC4-[3-aminopropyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCN)CCCC(=O)O
InChIInChI=1S/C10H22N2O2/c1-9(2)12(8-4-6-11)7-3-5-10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyFDICUHGOUXSOEG-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.91
Rot. Bonds8

About 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid

4-[3-aminopropyl(propan-2-yl)amino]butanoic acid (PubChem CID 63654781) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-aminopropyl(propan-2-yl)amino]butanoic acid
PubChem CID63654781
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4-[3-aminopropyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCN)CCCC(=O)O
InChIInChI=1S/C10H22N2O2/c1-9(2)12(8-4-6-11)7-3-5-10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyFDICUHGOUXSOEG-UHFFFAOYSA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carboxynorspermidine
CID 70678631
2-Amino-4-(methylamino)butanoic acid
CID 21295102
Isoputreanine
CID 171763
[(2R)-2-amino-3-carboxypropyl]trimethylazanium
CID 121831
4-(Isopropylamino)butanoic acid
CID 317001
4-[(Propan-2-yl)amino]butanoic acid hydrochloride
CID 17567359
4-(Methyl(propan-2-yl)amino)butanoic acid hydrochloride
CID 165675460
(2S)-2-amino-4-(dimethylamino)butanoic acid dihydrochloride
CID 165798433
(2-Amino-3-carboxypropyl)-trimethylazanium
CID 5071775
4-(3-Aminopropylamino)pentanoic acid
CID 11030328
2-({2-[Bis(carboxymethyl)amino]ethyl-(carboxymethyl)}amino)acetic acid
CID 87394782
4-(Isopropyl(methyl)amino)butanoic acid
CID 21027685

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid (CID 63654781) is 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCN)CCCC(=O)O.
What is the InChIKey of 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid?
The InChIKey is FDICUHGOUXSOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2)12(8-4-6-11)7-3-5-10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14).
What are the key properties of 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid?
4-[3-aminopropyl(propan-2-yl)amino]butanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 63654781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).