4-[(2,2-dicyclopropylacetyl)amino]butanoic acid

C12H19NO3 — CID 120513465

IUPAC4-[(2,2-dicyclopropylacetyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C(C1CC1)C1CC1
InChIInChI=1S/C12H19NO3/c14-10(15)2-1-7-13-12(16)11(8-3-4-8)9-5-6-9/h8-9,11H,1-7H2,(H,13,16)(H,14,15)
InChIKeyWQUAVYXVGPTXIN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds7

About 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid

4-[(2,2-dicyclopropylacetyl)amino]butanoic acid (PubChem CID 120513465) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2-dicyclopropylacetyl)amino]butanoic acid
PubChem CID120513465
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[(2,2-dicyclopropylacetyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C(C1CC1)C1CC1
InChIInChI=1S/C12H19NO3/c14-10(15)2-1-7-13-12(16)11(8-3-4-8)9-5-6-9/h8-9,11H,1-7H2,(H,13,16)(H,14,15)
InChIKeyWQUAVYXVGPTXIN-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide
CID 112745062
6-(1-cyclopropylethylcarbamoylamino)hexanoic acid
CID 61197551
4-(2,3-diaminopropanoylamino)butanoic acid
CID 123677811
4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
CID 175962096
4-(2-methylpentanoylamino)butanoic acid
CID 43209777
4-[4-[(2,2-dicyclopropylacetyl)amino]phenoxy]butanoic acid
CID 120530788
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720
4-(2,4-dimethylpent-4-enoylamino)butanoic acid
CID 120684446
4-(2-prop-2-enylpent-4-enoylamino)butanoic acid
CID 119352381

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid?
The IUPAC name of 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid (CID 120513465) is 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid is O=C(O)CCCNC(=O)C(C1CC1)C1CC1.
What is the InChIKey of 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid?
The InChIKey is WQUAVYXVGPTXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-10(15)2-1-7-13-12(16)11(8-3-4-8)9-5-6-9/h8-9,11H,1-7H2,(H,13,16)(H,14,15).
What are the key properties of 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid?
4-[(2,2-dicyclopropylacetyl)amino]butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dicyclopropylacetyl)amino]butanoic acid is sourced from PubChem (CID 120513465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).