methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate

C12H23NO3 — CID 115352329

IUPACmethyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
SMILESCCC(NCCCOCC1CC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-3-11(12(14)15-2)13-7-4-8-16-9-10-5-6-10/h10-11,13H,3-9H2,1-2H3
InChIKeyNXSHWRVTRNHBRO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds9

About methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate

methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate (PubChem CID 115352329) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
PubChem CID115352329
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
SMILESCCC(NCCCOCC1CC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-3-11(12(14)15-2)13-7-4-8-16-9-10-5-6-10/h10-11,13H,3-9H2,1-2H3
InChIKeyNXSHWRVTRNHBRO-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
N-[3-(cyclopropylmethoxy)propyl]butan-2-amine
CID 43206788
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]butanoic acid
CID 103994493
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
CID 62854201
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
CID 103920888
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522
3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
CID 81070555
3-(cyclopropylmethoxy)-N-methylpropan-1-amine
CID 60697422
methyl 2-[3-(diethylamino)propylamino]butanoate
CID 115352179

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate?
The IUPAC name of methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate (CID 115352329) is methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate.
What is the SMILES notation for methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate?
The canonical SMILES for methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate is CCC(NCCCOCC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate?
The InChIKey is NXSHWRVTRNHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-11(12(14)15-2)13-7-4-8-16-9-10-5-6-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate?
methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate is sourced from PubChem (CID 115352329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).