methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate

C9H18N2O3 — CID 60691190

IUPACmethyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(=O)NC(C)C
InChIInChI=1S/C9H18N2O3/c1-6(2)11-8(12)5-10-7(3)9(13)14-4/h6-7,10H,5H2,1-4H3,(H,11,12)
InChIKeySWYKDXJGTOBNLY-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.34
Rot. Bonds5

About methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate

methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate (PubChem CID 60691190) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
PubChem CID60691190
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(=O)NC(C)C
InChIInChI=1S/C9H18N2O3/c1-6(2)11-8(12)5-10-7(3)9(13)14-4/h6-7,10H,5H2,1-4H3,(H,11,12)
InChIKeySWYKDXJGTOBNLY-UHFFFAOYSA-N
XLogP-0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
CID 60691411
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
CID 77030474
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
CID 103914253
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
CID 60691118
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
N-(methylcarbamoyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 43402025
N-ethyl-N-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 103108695
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate (CID 60691190) is methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate is COC(=O)C(C)NCC(=O)NC(C)C.
What is the InChIKey of methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate?
The InChIKey is SWYKDXJGTOBNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)11-8(12)5-10-7(3)9(13)14-4/h6-7,10H,5H2,1-4H3,(H,11,12).
What are the key properties of methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate?
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate is sourced from PubChem (CID 60691190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).