butyl 3-(cyclopropylamino)propanoate

C10H19NO2 — CID 60649312

IUPACbutyl 3-(cyclopropylamino)propanoate
SMILESCCCCOC(=O)CCNC1CC1
InChIInChI=1S/C10H19NO2/c1-2-3-8-13-10(12)6-7-11-9-4-5-9/h9,11H,2-8H2,1H3
InChIKeyAWERTYGVPMRXMP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds7

About butyl 3-(cyclopropylamino)propanoate

butyl 3-(cyclopropylamino)propanoate (PubChem CID 60649312) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is butyl 3-(cyclopropylamino)propanoate.

Molecular Properties

Compound Namebutyl 3-(cyclopropylamino)propanoate
PubChem CID60649312
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namebutyl 3-(cyclopropylamino)propanoate
SMILESCCCCOC(=O)CCNC1CC1
InChIInChI=1S/C10H19NO2/c1-2-3-8-13-10(12)6-7-11-9-4-5-9/h9,11H,2-8H2,1H3
InChIKeyAWERTYGVPMRXMP-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl 3-(cyclopropylamino)propanoate 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

2-methoxyethyl 3-(cyclopropylamino)propanoate
CID 61301679
undecyl 6-[(4-hydroxycyclohexyl)amino]hexanoate
CID 170698268
3-methylbutyl 3-(cyclopropylamino)propanoate
CID 61278682
butyl 2-(cyclooctylamino)acetate
CID 54917785
butyl 2-[(4-propylcyclohexyl)amino]acetate
CID 54962947
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
dibutyl heptadecanedioate
CID 87117348
3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propyl 4-[4-[3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propoxy]-4-oxobutoxy]butanoate
CID 139796293
nonyl 8-[(3-acetyloxycyclohexyl)amino]octanoate
CID 170698267
butyl 6-(methylamino)hexanoate
CID 14437323
butyl pentacosanoate
CID 54548273

Frequently Asked Questions

What is the IUPAC name of butyl 3-(cyclopropylamino)propanoate?
The IUPAC name of butyl 3-(cyclopropylamino)propanoate (CID 60649312) is butyl 3-(cyclopropylamino)propanoate.
What is the SMILES notation for butyl 3-(cyclopropylamino)propanoate?
The canonical SMILES for butyl 3-(cyclopropylamino)propanoate is CCCCOC(=O)CCNC1CC1.
What is the InChIKey of butyl 3-(cyclopropylamino)propanoate?
The InChIKey is AWERTYGVPMRXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-8-13-10(12)6-7-11-9-4-5-9/h9,11H,2-8H2,1H3.
What are the key properties of butyl 3-(cyclopropylamino)propanoate?
butyl 3-(cyclopropylamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(cyclopropylamino)propanoate is sourced from PubChem (CID 60649312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).