methyl 4-(1-cyclopropylpropylamino)butanoate

C11H21NO2 — CID 64919715

IUPACmethyl 4-(1-cyclopropylpropylamino)butanoate
SMILESCCC(NCCCC(=O)OC)C1CC1
InChIInChI=1S/C11H21NO2/c1-3-10(9-6-7-9)12-8-4-5-11(13)14-2/h9-10,12H,3-8H2,1-2H3
InChIKeyIEUXIUICVQLYAQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds7

About methyl 4-(1-cyclopropylpropylamino)butanoate

methyl 4-(1-cyclopropylpropylamino)butanoate (PubChem CID 64919715) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 4-(1-cyclopropylpropylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(1-cyclopropylpropylamino)butanoate
PubChem CID64919715
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 4-(1-cyclopropylpropylamino)butanoate
SMILESCCC(NCCCC(=O)OC)C1CC1
InChIInChI=1S/C11H21NO2/c1-3-10(9-6-7-9)12-8-4-5-11(13)14-2/h9-10,12H,3-8H2,1-2H3
InChIKeyIEUXIUICVQLYAQ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
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

ethyl 4-(1-cyclopropylpropylamino)butanoate
CID 64917599
methyl 4-(1-cyclopentylethylamino)butanoate
CID 62632824
methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
CID 54920422
N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide
CID 115715078
3-(1-cyclohexylpropylamino)propanamide
CID 62407529
(4S)-4-[(4-methoxy-4-oxobutyl)amino]hexanoic acid
CID 87856835
N-(1-cyclopropylpropyl)hex-5-yn-1-amine
CID 103903633
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366
methyl 4-(2-bromobutanoylamino)butanoate
CID 62855279
methyl 4-(1-methylsulfonylpropan-2-ylamino)butanoate
CID 64629341
methyl 3-[3-(propan-2-ylamino)propoxy]propanoate
CID 106939689
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-cyclopropylpropylamino)butanoate?
The IUPAC name of methyl 4-(1-cyclopropylpropylamino)butanoate (CID 64919715) is methyl 4-(1-cyclopropylpropylamino)butanoate.
What is the SMILES notation for methyl 4-(1-cyclopropylpropylamino)butanoate?
The canonical SMILES for methyl 4-(1-cyclopropylpropylamino)butanoate is CCC(NCCCC(=O)OC)C1CC1.
What is the InChIKey of methyl 4-(1-cyclopropylpropylamino)butanoate?
The InChIKey is IEUXIUICVQLYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(9-6-7-9)12-8-4-5-11(13)14-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 4-(1-cyclopropylpropylamino)butanoate?
methyl 4-(1-cyclopropylpropylamino)butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-cyclopropylpropylamino)butanoate is sourced from PubChem (CID 64919715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).