methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate

C9H15BrN2O3 — CID 103239136

IUPACmethyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(Br)CNCC(=O)NC1CC1
InChIInChI=1S/C9H15BrN2O3/c1-15-9(14)7(10)4-11-5-8(13)12-6-2-3-6/h6-7,11H,2-5H2,1H3,(H,12,13)
InChIKeyLQPFEYVPLLARKR-UHFFFAOYSA-N
MW279.13 g/mol
LogP-0.21
Rot. Bonds6

About methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate

methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate (PubChem CID 103239136) has the molecular formula C9H15BrN2O3 and a molecular weight of 279.13 g/mol. Its IUPAC name is methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate
PubChem CID103239136
Molecular FormulaC9H15BrN2O3
Molecular Weight279.13 g/mol
Exact Mass278.03
IUPAC Namemethyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(Br)CNCC(=O)NC1CC1
InChIInChI=1S/C9H15BrN2O3/c1-15-9(14)7(10)4-11-5-8(13)12-6-2-3-6/h6-7,11H,2-5H2,1H3,(H,12,13)
InChIKeyLQPFEYVPLLARKR-UHFFFAOYSA-N
XLogP-0.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)amino]acetamide
CID 63929849
methyl 2-bromo-3-[(3-chloro-2-methylprop-2-enyl)amino]propanoate
CID 106440102
N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxypropyl]amino]acetamide
CID 60909095
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815
methyl 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpropanoate
CID 78842715
N-cyclohexyl-2-(2,3-dimethoxypropylamino)acetamide
CID 114099798
methyl 2-bromo-3-(2-cyclohexylethylamino)propanoate
CID 103240079
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 107903396
methyl 2-bromo-3-[(2-hydroxycyclohexyl)methylamino]propanoate
CID 103254115
methyl 2-bromo-3-(oxolan-3-ylmethylamino)propanoate
CID 103242537
N-cycloheptyl-2-(2,3-dimethylbutylamino)acetamide
CID 64596656

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate (CID 103239136) is methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate is COC(=O)C(Br)CNCC(=O)NC1CC1.
What is the InChIKey of methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate?
The InChIKey is LQPFEYVPLLARKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O3/c1-15-9(14)7(10)4-11-5-8(13)12-6-2-3-6/h6-7,11H,2-5H2,1H3,(H,12,13).
What are the key properties of methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate?
methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate has a molecular weight of 279.13 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 103239136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).