ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate

C15H29N3O2 — CID 63274639

IUPACethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
SMILESCCOC(=O)C(CN(C)CC1CCN(C)C1)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-4-20-15(19)14(16-13-5-6-13)11-18(3)10-12-7-8-17(2)9-12/h12-14,16H,4-11H2,1-3H3
InChIKeyBKRZSWOIXXAEGP-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.55
Rot. Bonds8

About ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate

ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate (PubChem CID 63274639) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
PubChem CID63274639
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nameethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
SMILESCCOC(=O)C(CN(C)CC1CCN(C)C1)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-4-20-15(19)14(16-13-5-6-13)11-18(3)10-12-7-8-17(2)9-12/h12-14,16H,4-11H2,1-3H3
InChIKeyBKRZSWOIXXAEGP-UHFFFAOYSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274429
ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274259
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
CID 63236572
2-ethoxy-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276105
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate (CID 63274639) is ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate is CCOC(=O)C(CN(C)CC1CCN(C)C1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The InChIKey is BKRZSWOIXXAEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-20-15(19)14(16-13-5-6-13)11-18(3)10-12-7-8-17(2)9-12/h12-14,16H,4-11H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate?
ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate has a molecular weight of 283.42 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate is sourced from PubChem (CID 63274639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).