3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid

C14H24N2O4 — CID 60839716

IUPAC3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(=O)C(NC(=O)CN(CCC(=O)O)C1CC1)C(C)C
InChIInChI=1S/C14H24N2O4/c1-9(2)14(10(3)17)15-12(18)8-16(11-4-5-11)7-6-13(19)20/h9,11,14H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyCUCOFFSXHPZFDK-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.66
Rot. Bonds9

About 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid

3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 60839716) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID60839716
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(=O)C(NC(=O)CN(CCC(=O)O)C1CC1)C(C)C
InChIInChI=1S/C14H24N2O4/c1-9(2)14(10(3)17)15-12(18)8-16(11-4-5-11)7-6-13(19)20/h9,11,14H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyCUCOFFSXHPZFDK-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55210363
2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78974200
3-[cyclopropyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 54925563
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid
CID 60839017
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839878
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
2-[1-cyclopropylethyl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793111
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329735
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
2-[3-aminopropyl(cyclopentyl)amino]-N-propan-2-ylacetamide
CID 43137564

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid (CID 60839716) is 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid is CC(=O)C(NC(=O)CN(CCC(=O)O)C1CC1)C(C)C.
What is the InChIKey of 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is CUCOFFSXHPZFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(2)14(10(3)17)15-12(18)8-16(11-4-5-11)7-6-13(19)20/h9,11,14H,4-8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid?
3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 60839716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).