2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid

C11H20N2O3 — CID 61161764

IUPAC2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
SMILESCNCCCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-11(10(15)16,8-5-6-8)13-9(14)4-3-7-12-2/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMVWOFLHARRTLER-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds7

About 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid

2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid (PubChem CID 61161764) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
PubChem CID61161764
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
SMILESCNCCCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-11(10(15)16,8-5-6-8)13-9(14)4-3-7-12-2/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMVWOFLHARRTLER-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
CID 43341227
2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172564
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
CID 43360529
2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43360456
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
2-cyclopropyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43360398
2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172537
2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide
CID 119890059

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid (CID 61161764) is 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid is CNCCCC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid?
The InChIKey is MVWOFLHARRTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(10(15)16,8-5-6-8)13-9(14)4-3-7-12-2/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid?
2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid is sourced from PubChem (CID 61161764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).