4-(cyclopropylmethylamino)butanoic acid

C8H15NO2 — CID 43377785

IUPAC4-(cyclopropylmethylamino)butanoic acid
SMILESO=C(O)CCCNCC1CC1
InChIInChI=1S/C8H15NO2/c10-8(11)2-1-5-9-6-7-3-4-7/h7,9H,1-6H2,(H,10,11)
InChIKeyZLOJLMZNHWLVSK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds6

About 4-(cyclopropylmethylamino)butanoic acid

4-(cyclopropylmethylamino)butanoic acid (PubChem CID 43377785) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)butanoic acid.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)butanoic acid
PubChem CID43377785
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(cyclopropylmethylamino)butanoic acid
SMILESO=C(O)CCCNCC1CC1
InChIInChI=1S/C8H15NO2/c10-8(11)2-1-5-9-6-7-3-4-7/h7,9H,1-6H2,(H,10,11)
InChIKeyZLOJLMZNHWLVSK-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(cyclopropylmethylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclohexylmethylamino)butanoic acid
CID 24705289
4-[(4-phenylcyclohexyl)methylamino]butanoic acid
CID 122035940
5-(thian-4-ylmethylamino)pentanoic acid
CID 103264300
4-(oxolan-3-ylmethylamino)butanoic acid
CID 60782844
4-(3-carboxypropylamino)butanoic acid
CID 4072500
5-(thiolan-3-ylmethylamino)pentanoic acid
CID 107296968
4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)butanoic acid?
The IUPAC name of 4-(cyclopropylmethylamino)butanoic acid (CID 43377785) is 4-(cyclopropylmethylamino)butanoic acid.
What is the SMILES notation for 4-(cyclopropylmethylamino)butanoic acid?
The canonical SMILES for 4-(cyclopropylmethylamino)butanoic acid is O=C(O)CCCNCC1CC1.
What is the InChIKey of 4-(cyclopropylmethylamino)butanoic acid?
The InChIKey is ZLOJLMZNHWLVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-8(11)2-1-5-9-6-7-3-4-7/h7,9H,1-6H2,(H,10,11).
What are the key properties of 4-(cyclopropylmethylamino)butanoic acid?
4-(cyclopropylmethylamino)butanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)butanoic acid is sourced from PubChem (CID 43377785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).