3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid

C10H18N2O4 — CID 104644717

IUPAC3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(16,9(14)15)6-11-5-4-8(13)12-7-2-3-7/h7,11,16H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyJMIIZTRNGBJCJZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.92
Rot. Bonds7

About 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 104644717) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID104644717
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(16,9(14)15)6-11-5-4-8(13)12-7-2-3-7/h7,11,16H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyJMIIZTRNGBJCJZ-UHFFFAOYSA-N
XLogP-0.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.92
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

3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid
CID 79623575
N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
CID 79393786
N-cyclopropyl-3-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 104760412
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
3-(cyanomethylamino)-N-cyclopropylpropanamide
CID 79394850
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopropyl-3-(2-methylidenebutylamino)propanamide
CID 79394684
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 104644717) is 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNCCC(=O)NC1CC1)C(=O)O.
What is the InChIKey of 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is JMIIZTRNGBJCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(16,9(14)15)6-11-5-4-8(13)12-7-2-3-7/h7,11,16H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104644717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).