3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid

C7H16N2O3 — CID 104644350

IUPAC3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNCCCN)C(=O)O
InChIInChI=1S/C7H16N2O3/c1-7(12,6(10)11)5-9-4-2-3-8/h9,12H,2-5,8H2,1H3,(H,10,11)
InChIKeyJYLYIRAXWYMYEY-UHFFFAOYSA-N
MW176.22 g/mol
LogP-1.24
Rot. Bonds6

About 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid

3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 104644350) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid
PubChem CID104644350
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNCCCN)C(=O)O
InChIInChI=1S/C7H16N2O3/c1-7(12,6(10)11)5-9-4-2-3-8/h9,12H,2-5,8H2,1H3,(H,10,11)
InChIKeyJYLYIRAXWYMYEY-UHFFFAOYSA-N
XLogP-1.24
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride
CID 173290454
2-hydroxy-2-methyl-3-(5,5,5-trifluoropentylamino)propanoic acid
CID 104644905
N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine
CID 11007372
2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid
CID 106305482
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid
CID 104643565
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644717
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644439
3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644040
3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177839
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid (CID 104644350) is 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid is CC(O)(CNCCCN)C(=O)O.
What is the InChIKey of 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is JYLYIRAXWYMYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-7(12,6(10)11)5-9-4-2-3-8/h9,12H,2-5,8H2,1H3,(H,10,11).
What are the key properties of 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid?
3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 176.22 g/mol, XLogP of -1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104644350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).