methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate

C15H28N2O3 — CID 63055508

IUPACmethyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
SMILESCCN(CCC(NC1CC1)C(=O)OC)CC1CCCO1
InChIInChI=1S/C15H28N2O3/c1-3-17(11-13-5-4-10-20-13)9-8-14(15(18)19-2)16-12-6-7-12/h12-14,16H,3-11H2,1-2H3
InChIKeyBTUMVMOZCANPNC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.17
Rot. Bonds9

About methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate

methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate (PubChem CID 63055508) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
PubChem CID63055508
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
SMILESCCN(CCC(NC1CC1)C(=O)OC)CC1CCCO1
InChIInChI=1S/C15H28N2O3/c1-3-17(11-13-5-4-10-20-13)9-8-14(15(18)19-2)16-12-6-7-12/h12-14,16H,3-11H2,1-2H3
InChIKeyBTUMVMOZCANPNC-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
CID 107401182
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63027338
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 55090223
N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62574226
2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 64582510
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate (CID 63055508) is methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate is CCN(CCC(NC1CC1)C(=O)OC)CC1CCCO1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate?
The InChIKey is BTUMVMOZCANPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-17(11-13-5-4-10-20-13)9-8-14(15(18)19-2)16-12-6-7-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate?
methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate has a molecular weight of 284.40 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate is sourced from PubChem (CID 63055508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).