3-methylbutyl 3-(cyclopropylamino)propanoate

C11H21NO2 — CID 61278682

IUPAC3-methylbutyl 3-(cyclopropylamino)propanoate
SMILESCC(C)CCOC(=O)CCNC1CC1
InChIInChI=1S/C11H21NO2/c1-9(2)6-8-14-11(13)5-7-12-10-3-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyMWNUJOKYQMVPRM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds7

About 3-methylbutyl 3-(cyclopropylamino)propanoate

3-methylbutyl 3-(cyclopropylamino)propanoate (PubChem CID 61278682) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methylbutyl 3-(cyclopropylamino)propanoate.

Molecular Properties

Compound Name3-methylbutyl 3-(cyclopropylamino)propanoate
PubChem CID61278682
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methylbutyl 3-(cyclopropylamino)propanoate
SMILESCC(C)CCOC(=O)CCNC1CC1
InChIInChI=1S/C11H21NO2/c1-9(2)6-8-14-11(13)5-7-12-10-3-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyMWNUJOKYQMVPRM-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

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Related Compounds

2-methoxyethyl 3-(cyclopropylamino)propanoate
CID 61301679
butyl 3-(cyclopropylamino)propanoate
CID 60649312
bis(3-methylbutyl) tetradecanedioate
CID 87116358
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
3-methylbutyl 3-(4-methylpiperazin-1-yl)propanoate
CID 58133998
cyclopentyl 3-(cyclopropylamino)propanoate
CID 61278609
2-cyclopropylethyl 3-(propan-2-ylamino)propanoate
CID 106202501
3-(cyclopropylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761100
ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate
CID 61483914
4-methylpentyl 5-[2-[2-[2-[[5-(3-methylbutoxy)-5-oxopentyl]amino]ethoxy]ethoxy]ethylamino]pentanoate
CID 134487384
3-methylbutyl nonadecanoate
CID 139899156

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 3-(cyclopropylamino)propanoate?
The IUPAC name of 3-methylbutyl 3-(cyclopropylamino)propanoate (CID 61278682) is 3-methylbutyl 3-(cyclopropylamino)propanoate.
What is the SMILES notation for 3-methylbutyl 3-(cyclopropylamino)propanoate?
The canonical SMILES for 3-methylbutyl 3-(cyclopropylamino)propanoate is CC(C)CCOC(=O)CCNC1CC1.
What is the InChIKey of 3-methylbutyl 3-(cyclopropylamino)propanoate?
The InChIKey is MWNUJOKYQMVPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)6-8-14-11(13)5-7-12-10-3-4-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3-methylbutyl 3-(cyclopropylamino)propanoate?
3-methylbutyl 3-(cyclopropylamino)propanoate 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 3-methylbutyl 3-(cyclopropylamino)propanoate is sourced from PubChem (CID 61278682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).