methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate

C9H16N2O3 — CID 43089104

IUPACmethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
SMILESC=CCNC(=O)C(C)NCC(=O)OC
InChIInChI=1S/C9H16N2O3/c1-4-5-10-9(13)7(2)11-6-8(12)14-3/h4,7,11H,1,5-6H2,2-3H3,(H,10,13)
InChIKeyOLYJDRVKZNHWOF-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.56
Rot. Bonds6

About methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate

methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate (PubChem CID 43089104) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
PubChem CID43089104
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
SMILESC=CCNC(=O)C(C)NCC(=O)OC
InChIInChI=1S/C9H16N2O3/c1-4-5-10-9(13)7(2)11-6-8(12)14-3/h4,7,11H,1,5-6H2,2-3H3,(H,10,13)
InChIKeyOLYJDRVKZNHWOF-UHFFFAOYSA-N
XLogP-0.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Acetyl-ala-ala-ala-methylester
CID 5462473
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
N-(N-L-Alanyl-L-alanyl)-O-methyl-L-alanine monoacetate
CID 541978
N,N'-bis[(s)-1-methoxycarbonylethyl]fumaric diamide
CID 102252315
Boc-D-N(allyl)Ala-Ala-OMe
CID 5471032
l-Alanyl-l-alanyl-l-alanine methyl ester
CID 6097192
N-acryloyl-l-alanine methyl ester
CID 11564512
Ethyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 14331237
Methyl 2-(prop-2-enoylamino)propanoate
CID 60780322
Methyl 2-acryloylaminobutanoate
CID 129752921
AC-Ala-ala-ome
CID 12025525
Methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate
CID 59929033

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate (CID 43089104) is methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate is C=CCNC(=O)C(C)NCC(=O)OC.
What is the InChIKey of methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The InChIKey is OLYJDRVKZNHWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-5-10-9(13)7(2)11-6-8(12)14-3/h4,7,11H,1,5-6H2,2-3H3,(H,10,13).
What are the key properties of methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate has a molecular weight of 200.24 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate is sourced from PubChem (CID 43089104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).