ethyl 4-(1-cyclopropylpropylamino)butanoate

C12H23NO2 — CID 64917599

IUPACethyl 4-(1-cyclopropylpropylamino)butanoate
SMILESCCOC(=O)CCCNC(CC)C1CC1
InChIInChI=1S/C12H23NO2/c1-3-11(10-7-8-10)13-9-5-6-12(14)15-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyGUWPHBJEAHHIBK-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds8

About ethyl 4-(1-cyclopropylpropylamino)butanoate

ethyl 4-(1-cyclopropylpropylamino)butanoate (PubChem CID 64917599) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 4-(1-cyclopropylpropylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(1-cyclopropylpropylamino)butanoate
PubChem CID64917599
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 4-(1-cyclopropylpropylamino)butanoate
SMILESCCOC(=O)CCCNC(CC)C1CC1
InChIInChI=1S/C12H23NO2/c1-3-11(10-7-8-10)13-9-5-6-12(14)15-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyGUWPHBJEAHHIBK-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(1-cyclopropylpropylamino)butanoate
CID 64919715
ethyl 2-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64670192
ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
CID 104696501
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671956
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
3-(1-cyclohexylpropylamino)propanamide
CID 62407529
ethyl 4-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60677364
ethyl 5-[[(1S)-2,2,2-trichloro-1-hydroxyethyl]amino]pentanoate
CID 2249254
diethyl hexanedioate
CID 160747628

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-cyclopropylpropylamino)butanoate?
The IUPAC name of ethyl 4-(1-cyclopropylpropylamino)butanoate (CID 64917599) is ethyl 4-(1-cyclopropylpropylamino)butanoate.
What is the SMILES notation for ethyl 4-(1-cyclopropylpropylamino)butanoate?
The canonical SMILES for ethyl 4-(1-cyclopropylpropylamino)butanoate is CCOC(=O)CCCNC(CC)C1CC1.
What is the InChIKey of ethyl 4-(1-cyclopropylpropylamino)butanoate?
The InChIKey is GUWPHBJEAHHIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-11(10-7-8-10)13-9-5-6-12(14)15-4-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 4-(1-cyclopropylpropylamino)butanoate?
ethyl 4-(1-cyclopropylpropylamino)butanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-cyclopropylpropylamino)butanoate is sourced from PubChem (CID 64917599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).