3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid

C15H26N2O4 — CID 60825898

IUPAC3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
SMILESCC1CC1C(=O)NCCC(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H26N2O4/c1-10-9-11(10)14(21)16-7-5-12(18)17(15(2,3)4)8-6-13(19)20/h10-11H,5-9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyUAMVFWZPCOFPGR-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds7

About 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid

3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid (PubChem CID 60825898) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
PubChem CID60825898
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
SMILESCC1CC1C(=O)NCCC(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H26N2O4/c1-10-9-11(10)14(21)16-7-5-12(18)17(15(2,3)4)8-6-13(19)20/h10-11H,5-9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyUAMVFWZPCOFPGR-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid with MolForge

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Related Compounds

n-(3-(Tert-butylamino)-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 71942014
3,3,3-Trifluoro-2-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]propanoic acid
CID 79788573
3-(4-Methylpentanoylamino)propanoic acid
CID 28777700
3-[(1-Acetylpiperidine-3-carbonyl)amino]propanoic acid
CID 43354838
tert-butyl-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamic acid
CID 68910154
3-Methyl-3-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516918
N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane
CID 143028682
3-[(2-Methylcyclopropyl)formamido]propanoic acid
CID 16776631
3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 30048608
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 30048611
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 30048614
3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 30048617

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid (CID 60825898) is 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid is CC1CC1C(=O)NCCC(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid?
The InChIKey is UAMVFWZPCOFPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-9-11(10)14(21)16-7-5-12(18)17(15(2,3)4)8-6-13(19)20/h10-11H,5-9H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid?
3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 60825898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).