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

C12H20N2O4 — CID 60989213

IUPAC3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
SMILESCC1CC1C(=O)NCCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-8-7-9(8)12(18)13-5-3-10(15)14(2)6-4-11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyWNVUWFFACQXEPL-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.08
Rot. Bonds7

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

3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid (PubChem CID 60989213) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
PubChem CID60989213
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
SMILESCC1CC1C(=O)NCCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-8-7-9(8)12(18)13-5-3-10(15)14(2)6-4-11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyWNVUWFFACQXEPL-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115691583
3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60825898
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 112548158
trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95596952
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 64512398
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
trans-(1R,2R)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910906
cis-(1R,2S)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910904
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid (CID 60989213) is 3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid is CC1CC1C(=O)NCCC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid?
The InChIKey is WNVUWFFACQXEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-7-9(8)12(18)13-5-3-10(15)14(2)6-4-11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid?
3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 60989213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).