2-aminoacetic acid;1-bromo-3-methylbenzene;ethane

C11H18BrNO2 — CID 143297174

IUPAC2-aminoacetic acid;1-bromo-3-methylbenzene;ethane
SMILESCC.Cc1cccc(Br)c1.NCC(=O)O
InChIInChI=1S/C7H7Br.C2H5NO2.C2H6/c1-6-3-2-4-7(8)5-6;3-1-2(4)5;1-2/h2-5H,1H3;1,3H2,(H,4,5);1-2H3
InChIKeyUIYLARIZXGKCCQ-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.81
Rot. Bonds1

About 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane

2-aminoacetic acid;1-bromo-3-methylbenzene;ethane (PubChem CID 143297174) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane.

Molecular Properties

Compound Name2-aminoacetic acid;1-bromo-3-methylbenzene;ethane
PubChem CID143297174
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name2-aminoacetic acid;1-bromo-3-methylbenzene;ethane
SMILESCC.Cc1cccc(Br)c1.NCC(=O)O
InChIInChI=1S/C7H7Br.C2H5NO2.C2H6/c1-6-3-2-4-7(8)5-6;3-1-2(4)5;1-2/h2-5H,1H3;1,3H2,(H,4,5);1-2H3
InChIKeyUIYLARIZXGKCCQ-UHFFFAOYSA-N
XLogP2.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide
CID 144706415
2-aminoacetic acid;ethane;1,4-xylene
CID 143195135
1-bromo-3-methylbenzene;ethyl acetate;methyl acetate
CID 143576844
1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;ethane
CID 144877768
1-bromo-3-methylbenzene;4-[4-(3-methylphenyl)phenyl]-4-oxobutanoic acid
CID 159283163
2-(3-bromophenyl)acetic acid;2-(3-fluorophenyl)acetic acid;2-(3-methylphenyl)acetic acid
CID 159192805
2-aminoacetic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 118514056
3-bromobenzoic acid;ethane
CID 143530590
acetic acid;ethane;3-methylaniline
CID 142238928
3-bromoaniline;butanoic acid
CID 162142534
acetic acid;azane;1,3-xylene
CID 21426934
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane?
The IUPAC name of 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane (CID 143297174) is 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane.
What is the SMILES notation for 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane?
The canonical SMILES for 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane is CC.Cc1cccc(Br)c1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane?
The InChIKey is UIYLARIZXGKCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br.C2H5NO2.C2H6/c1-6-3-2-4-7(8)5-6;3-1-2(4)5;1-2/h2-5H,1H3;1,3H2,(H,4,5);1-2H3.
What are the key properties of 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane?
2-aminoacetic acid;1-bromo-3-methylbenzene;ethane has a molecular weight of 276.17 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;1-bromo-3-methylbenzene;ethane is sourced from PubChem (CID 143297174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).